pyridin-2-ylmethanamine;(1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;2-[2-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine;(1R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-imine

C49H71N5O — CID 158856424

IUPACpyridin-2-ylmethanamine;(1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;2-[2-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine;(1R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-imine
SMILESCC1(C)C2CC[C@@]1(C)/C(=N/Cc1ccccn1)C2.CC1(C)C2CC[C@@]1(C)C(=O)C2.CC1(C)C2CC[C@@]1(C)C(CCc1ccccn1)C2.NCc1ccccn1
InChIInChI=1S/C17H25N.C16H22N2.C10H16O.C6H8N2/c1-16(2)13-9-10-17(16,3)14(12-13)7-8-15-6-4-5-11-18-15;1-15(2)12-7-8-16(15,3)14(10-12)18-11-13-6-4-5-9-17-13;1-9(2)7-4-5-10(9,3)8(11)6-7;7-5-6-3-1-2-4-8-6/h4-6,11,13-14H,7-10,12H2,1-3H3;4-6,9,12H,7-8,10-11H2,1-3H3;7H,4-6H2,1-3H3;1-4H,5,7H2/b;18-14+;;/t13?,14?,17-;12?,16-;7?,10-;/m000./s1
InChIKeyJACMVUNMYNEKMT-TTWLSMQASA-N
MW746.14 g/mol
LogP11.29
Rot. Bonds6

About pyridin-2-ylmethanamine;(1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;2-[2-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine;(1R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-imine

pyridin-2-ylmethanamine;(1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;2-[2-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine;(1R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-imine (PubChem CID 158856424) has the molecular formula C49H71N5O and a molecular weight of 746.14 g/mol. Its IUPAC name is pyridin-2-ylmethanamine;(1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;2-[2-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine;(1R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-imine.

Molecular Properties

Compound Namepyridin-2-ylmethanamine;(1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;2-[2-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine;(1R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-imine
PubChem CID158856424
Molecular FormulaC49H71N5O
Molecular Weight746.14 g/mol
Exact Mass745.57
IUPAC Namepyridin-2-ylmethanamine;(1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;2-[2-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine;(1R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-imine
SMILESCC1(C)C2CC[C@@]1(C)/C(=N/Cc1ccccn1)C2.CC1(C)C2CC[C@@]1(C)C(=O)C2.CC1(C)C2CC[C@@]1(C)C(CCc1ccccn1)C2.NCc1ccccn1
InChIInChI=1S/C17H25N.C16H22N2.C10H16O.C6H8N2/c1-16(2)13-9-10-17(16,3)14(12-13)7-8-15-6-4-5-11-18-15;1-15(2)12-7-8-16(15,3)14(10-12)18-11-13-6-4-5-9-17-13;1-9(2)7-4-5-10(9,3)8(11)6-7;7-5-6-3-1-2-4-8-6/h4-6,11,13-14H,7-10,12H2,1-3H3;4-6,9,12H,7-8,10-11H2,1-3H3;7H,4-6H2,1-3H3;1-4H,5,7H2/b;18-14+;;/t13?,14?,17-;12?,16-;7?,10-;/m000./s1
InChIKeyJACMVUNMYNEKMT-TTWLSMQASA-N
XLogP11.29
TPSA94.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.14
LogP ≤ 511.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze pyridin-2-ylmethanamine;(1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;2-[2-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine;(1R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-imine with MolForge

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Related Compounds

(1R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine;(1R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-imine
CID 159041720
7,7-dimethyl-2-(pyridin-2-ylmethylimino)bicyclo[2.2.1]heptane-1-carboxylic acid
CID 134940270
(1S,4R)-7,7-dimethyl-2-(pyridin-2-ylmethylimino)bicyclo[2.2.1]heptane-1-carboxylic acid
CID 101431000
sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 174955464
(1S)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 139370439
(1S,2S,4S)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 46831020
methanol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 19002656
N-[(E)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-2-carboxamide
CID 23327830
(1R,2R,4R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine;dihydrochloride
CID 118989555
(1R)-1,7,7-trimethyl-N-(2-pyridin-2-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-imine
CID 102228854
phenol;selane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 172999582
1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;urea
CID 162060866

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethanamine;(1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;2-[2-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine;(1R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-imine?
The IUPAC name of pyridin-2-ylmethanamine;(1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;2-[2-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine;(1R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-imine (CID 158856424) is pyridin-2-ylmethanamine;(1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;2-[2-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine;(1R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-imine.
What is the SMILES notation for pyridin-2-ylmethanamine;(1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;2-[2-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine;(1R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-imine?
The canonical SMILES for pyridin-2-ylmethanamine;(1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;2-[2-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine;(1R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-imine is CC1(C)C2CC[C@@]1(C)/C(=N/Cc1ccccn1)C2.CC1(C)C2CC[C@@]1(C)C(=O)C2.CC1(C)C2CC[C@@]1(C)C(CCc1ccccn1)C2.NCc1ccccn1.
What is the InChIKey of pyridin-2-ylmethanamine;(1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;2-[2-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine;(1R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-imine?
The InChIKey is JACMVUNMYNEKMT-TTWLSMQASA-N. The full InChI is InChI=1S/C17H25N.C16H22N2.C10H16O.C6H8N2/c1-16(2)13-9-10-17(16,3)14(12-13)7-8-15-6-4-5-11-18-15;1-15(2)12-7-8-16(15,3)14(10-12)18-11-13-6-4-5-9-17-13;1-9(2)7-4-5-10(9,3)8(11)6-7;7-5-6-3-1-2-4-8-6/h4-6,11,13-14H,7-10,12H2,1-3H3;4-6,9,12H,7-8,10-11H2,1-3H3;7H,4-6H2,1-3H3;1-4H,5,7H2/b;18-14+;;/t13?,14?,17-;12?,16-;7?,10-;/m000./s1.
What are the key properties of pyridin-2-ylmethanamine;(1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;2-[2-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine;(1R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-imine?
pyridin-2-ylmethanamine;(1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;2-[2-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine;(1R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-imine has a molecular weight of 746.14 g/mol, XLogP of 11.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethanamine;(1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;2-[2-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine;(1R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-imine is sourced from PubChem (CID 158856424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).