(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

C32H46N4 — CID 159041720

IUPAC(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
SMILESCC1(C)C2CC[C@@]1(C)/C(=N/Cc1ccccn1)C2.CC1(C)C2CC[C@@]1(C)C(NCc1ccccn1)C2
InChIInChI=1S/C16H24N2.C16H22N2/c2*1-15(2)12-7-8-16(15,3)14(10-12)18-11-13-6-4-5-9-17-13/h4-6,9,12,14,18H,7-8,10-11H2,1-3H3;4-6,9,12H,7-8,10-11H2,1-3H3/b;18-14+/t12?,14?,16-;12?,16-/m00/s1
InChIKeyJWDHERQSTHJKOQ-OVTSXLITSA-N
MW486.75 g/mol
LogP7.25
Rot. Bonds5

About (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

(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 (PubChem CID 159041720) has the molecular formula C32H46N4 and a molecular weight of 486.75 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID159041720
Molecular FormulaC32H46N4
Molecular Weight486.75 g/mol
Exact Mass486.37
IUPAC Name(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
SMILESCC1(C)C2CC[C@@]1(C)/C(=N/Cc1ccccn1)C2.CC1(C)C2CC[C@@]1(C)C(NCc1ccccn1)C2
InChIInChI=1S/C16H24N2.C16H22N2/c2*1-15(2)12-7-8-16(15,3)14(10-12)18-11-13-6-4-5-9-17-13/h4-6,9,12,14,18H,7-8,10-11H2,1-3H3;4-6,9,12H,7-8,10-11H2,1-3H3/b;18-14+/t12?,14?,16-;12?,16-/m00/s1
InChIKeyJWDHERQSTHJKOQ-OVTSXLITSA-N
XLogP7.25
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.75
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

(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
(1R,2R,4R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine;dihydrochloride
CID 118989555
molecular hydrogen;(5R)-5,8,8-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[3.2.1]octan-6-amine
CID 144789671
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
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
1,7,7-trimethyl-N-[(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 60689135
1,7,7-trimethyl-N-(pyridin-4-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 43222723
1,7,7-trimethyl-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 43222733
1,7,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 43223186
(1R)-1,7,7-trimethyl-N-(2-pyridin-2-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-imine
CID 102228854

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1(C)C2CC[C@@]1(C)/C(=N/Cc1ccccn1)C2.CC1(C)C2CC[C@@]1(C)C(NCc1ccccn1)C2.
What is the InChIKey of (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?
The InChIKey is JWDHERQSTHJKOQ-OVTSXLITSA-N. The full InChI is InChI=1S/C16H24N2.C16H22N2/c2*1-15(2)12-7-8-16(15,3)14(10-12)18-11-13-6-4-5-9-17-13/h4-6,9,12,14,18H,7-8,10-11H2,1-3H3;4-6,9,12H,7-8,10-11H2,1-3H3/b;18-14+/t12?,14?,16-;12?,16-/m00/s1.
What are the key properties of (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?
(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 has a molecular weight of 486.75 g/mol, XLogP of 7.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 159041720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).