(1S,2S,4S)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine

C16H24N2 — CID 46831020

IUPAC(1S,2S,4S)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)[C@H]2CC[C@]1(C)[C@@H](NCc1ccccn1)C2
InChIInChI=1S/C16H24N2/c1-15(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/t12-,14-,16+/m0/s1
InChIKeyGWIRNARPJMQEML-DUVNUKRYSA-N
MW244.38 g/mol
LogP3.39
Rot. Bonds3

About (1S,2S,4S)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine

(1S,2S,4S)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 46831020) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (1S,2S,4S)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1S,2S,4S)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID46831020
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name(1S,2S,4S)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)[C@H]2CC[C@]1(C)[C@@H](NCc1ccccn1)C2
InChIInChI=1S/C16H24N2/c1-15(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/t12-,14-,16+/m0/s1
InChIKeyGWIRNARPJMQEML-DUVNUKRYSA-N
XLogP3.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,2S,4S)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-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
(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
(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
1,7,7-trimethyl-N-[(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 60689135
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 104878460
4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzene-1,2,3-triol
CID 103953120
(1S,2R,4S)-N-[(4-methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 23619995
2-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-3-amine
CID 79041755
(1S,2R,4R)-1,7,7-trimethyl-N-[(5-methylthiophen-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 99846801
N-[(5-ethylthiophen-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 55221859

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1S,2S,4S)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine (CID 46831020) is (1S,2S,4S)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1S,2S,4S)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1S,2S,4S)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine is CC1(C)[C@H]2CC[C@]1(C)[C@@H](NCc1ccccn1)C2.
What is the InChIKey of (1S,2S,4S)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is GWIRNARPJMQEML-DUVNUKRYSA-N. The full InChI is InChI=1S/C16H24N2/c1-15(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/t12-,14-,16+/m0/s1.
What are the key properties of (1S,2S,4S)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
(1S,2S,4S)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 244.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 46831020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).