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

C13H18N2 — CID 98119416

IUPAC(1R,2R,4R)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
SMILESc1ccc(CN[C@@H]2C[C@@H]3CC[C@@H]2C3)nc1
InChIInChI=1S/C13H18N2/c1-2-6-14-12(3-1)9-15-13-8-10-4-5-11(13)7-10/h1-3,6,10-11,13,15H,4-5,7-9H2/t10-,11-,13-/m1/s1
InChIKeyYEHWTDHVFHJIQE-NQBHXWOUSA-N
MW202.30 g/mol
LogP2.36
Rot. Bonds3

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

(1R,2R,4R)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 98119416) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (1R,2R,4R)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,2R,4R)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID98119416
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(1R,2R,4R)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
SMILESc1ccc(CN[C@@H]2C[C@@H]3CC[C@@H]2C3)nc1
InChIInChI=1S/C13H18N2/c1-2-6-14-12(3-1)9-15-13-8-10-4-5-11(13)7-10/h1-3,6,10-11,13,15H,4-5,7-9H2/t10-,11-,13-/m1/s1
InChIKeyYEHWTDHVFHJIQE-NQBHXWOUSA-N
XLogP2.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
CID 25052289
(1S,2R,4S)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7471796
N-(pyridin-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 20726962
cis-(1S,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol
CID 93317478
trans-(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol
CID 93317480
trans-(1S,2S)-2-(pyridin-2-ylmethylamino)cyclopentan-1-ol
CID 93317323
N-[(5-chloroquinolin-8-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115697528
ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-pyridin-2-ylethyl)piperazine
CID 98775676
trans-(1S,2S)-2-N-(pyridin-2-ylmethyl)-1-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]cyclohexane-1,2-diamine
CID 59989995
N-(pyridin-2-ylmethyl)cyclopent-3-en-1-amine
CID 115696455
(2R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine
CID 102451232

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,2R,4R)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine (CID 98119416) is (1R,2R,4R)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,2R,4R)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,2R,4R)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine is c1ccc(CN[C@@H]2C[C@@H]3CC[C@@H]2C3)nc1.
What is the InChIKey of (1R,2R,4R)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is YEHWTDHVFHJIQE-NQBHXWOUSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-6-14-12(3-1)9-15-13-8-10-4-5-11(13)7-10/h1-3,6,10-11,13,15H,4-5,7-9H2/t10-,11-,13-/m1/s1.
What are the key properties of (1R,2R,4R)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
(1R,2R,4R)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 202.30 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 98119416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).