molecular hydrogen;(5R)-5,8,8-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[3.2.1]octan-6-amine

C17H28N2 — CID 144789671

IUPACmolecular hydrogen;(5R)-5,8,8-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[3.2.1]octan-6-amine
SMILESCC1(C)C2CCC[C@@]1(C)C(NCc1ccccn1)C2.[H][H]
InChIInChI=1S/C17H26N2.H2/c1-16(2)13-7-6-9-17(16,3)15(11-13)19-12-14-8-4-5-10-18-14;/h4-5,8,10,13,15,19H,6-7,9,11-12H2,1-3H3;1H/t13?,15?,17-;/m0./s1
InChIKeyRIXHWVOINCXXSV-ILUFHWEDSA-N
MW260.42 g/mol
LogP4.02
Rot. Bonds3

About molecular hydrogen;(5R)-5,8,8-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[3.2.1]octan-6-amine

molecular hydrogen;(5R)-5,8,8-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[3.2.1]octan-6-amine (PubChem CID 144789671) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is molecular hydrogen;(5R)-5,8,8-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[3.2.1]octan-6-amine.

Molecular Properties

Compound Namemolecular hydrogen;(5R)-5,8,8-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[3.2.1]octan-6-amine
PubChem CID144789671
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Namemolecular hydrogen;(5R)-5,8,8-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[3.2.1]octan-6-amine
SMILESCC1(C)C2CCC[C@@]1(C)C(NCc1ccccn1)C2.[H][H]
InChIInChI=1S/C17H26N2.H2/c1-16(2)13-7-6-9-17(16,3)15(11-13)19-12-14-8-4-5-10-18-14;/h4-5,8,10,13,15,19H,6-7,9,11-12H2,1-3H3;1H/t13?,15?,17-;/m0./s1
InChIKeyRIXHWVOINCXXSV-ILUFHWEDSA-N
XLogP4.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze molecular hydrogen;(5R)-5,8,8-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[3.2.1]octan-6-amine 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
(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
1,7,7-trimethyl-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 43222733
ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
trans-(1R,2R)-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
CID 25052289
1,7,7-trimethyl-N-[(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 60689135
iodoethane;1-N,3-N,5-N-tris(pyridin-2-ylmethyl)cyclohexane-1,3,5-triamine
CID 159564484
4-methyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine
CID 65080736
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 104878460
trans-(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol
CID 93317480

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;(5R)-5,8,8-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[3.2.1]octan-6-amine?
The IUPAC name of molecular hydrogen;(5R)-5,8,8-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[3.2.1]octan-6-amine (CID 144789671) is molecular hydrogen;(5R)-5,8,8-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[3.2.1]octan-6-amine.
What is the SMILES notation for molecular hydrogen;(5R)-5,8,8-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[3.2.1]octan-6-amine?
The canonical SMILES for molecular hydrogen;(5R)-5,8,8-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[3.2.1]octan-6-amine is CC1(C)C2CCC[C@@]1(C)C(NCc1ccccn1)C2.[H][H].
What is the InChIKey of molecular hydrogen;(5R)-5,8,8-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[3.2.1]octan-6-amine?
The InChIKey is RIXHWVOINCXXSV-ILUFHWEDSA-N. The full InChI is InChI=1S/C17H26N2.H2/c1-16(2)13-7-6-9-17(16,3)15(11-13)19-12-14-8-4-5-10-18-14;/h4-5,8,10,13,15,19H,6-7,9,11-12H2,1-3H3;1H/t13?,15?,17-;/m0./s1.
What are the key properties of molecular hydrogen;(5R)-5,8,8-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[3.2.1]octan-6-amine?
molecular hydrogen;(5R)-5,8,8-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[3.2.1]octan-6-amine has a molecular weight of 260.42 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;(5R)-5,8,8-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[3.2.1]octan-6-amine is sourced from PubChem (CID 144789671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).