N-(pyridin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine

C16H25N3 — CID 79545849

IUPACN-(pyridin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
SMILESc1cncc(CNC2CCCCC2C2CCCN2)c1
InChIInChI=1S/C16H25N3/c1-2-7-16(14(6-1)15-8-4-10-18-15)19-12-13-5-3-9-17-11-13/h3,5,9,11,14-16,18-19H,1-2,4,6-8,10,12H2
InChIKeyKQVSTANYHSYHSD-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.48
Rot. Bonds4

About N-(pyridin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine

N-(pyridin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine (PubChem CID 79545849) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
PubChem CID79545849
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-(pyridin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
SMILESc1cncc(CNC2CCCCC2C2CCCN2)c1
InChIInChI=1S/C16H25N3/c1-2-7-16(14(6-1)15-8-4-10-18-15)19-12-13-5-3-9-17-11-13/h3,5,9,11,14-16,18-19H,1-2,4,6-8,10,12H2
InChIKeyKQVSTANYHSYHSD-UHFFFAOYSA-N
XLogP2.48
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-piperidin-2-ylcyclopentan-1-amine
CID 79545054
N-(pyridazin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 106895203
N-[(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79536668
N-(pyridin-3-ylmethyl)pyrrolidin-2-amine
CID 90939130
N-[(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79544582
N-[(3-fluorophenyl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79544989
N-[(4-ethylphenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 106899423
N-(pyridin-2-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79543889
N-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 106414949
2-piperidin-2-yl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine
CID 79545513
N-[(1-methylpyrazol-4-yl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79544285
2-phenyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 43769450

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine?
The IUPAC name of N-(pyridin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine (CID 79545849) is N-(pyridin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine?
The canonical SMILES for N-(pyridin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine is c1cncc(CNC2CCCCC2C2CCCN2)c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine?
The InChIKey is KQVSTANYHSYHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-2-7-16(14(6-1)15-8-4-10-18-15)19-12-13-5-3-9-17-11-13/h3,5,9,11,14-16,18-19H,1-2,4,6-8,10,12H2.
What are the key properties of N-(pyridin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine?
N-(pyridin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine has a molecular weight of 259.40 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine is sourced from PubChem (CID 79545849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).