N-[(2-aminocyclohexyl)methyl]pyridin-4-amine

C12H19N3 — CID 64926899

IUPACN-[(2-aminocyclohexyl)methyl]pyridin-4-amine
SMILESNC1CCCCC1CNc1ccncc1
InChIInChI=1S/C12H19N3/c13-12-4-2-1-3-10(12)9-15-11-5-7-14-8-6-11/h5-8,10,12H,1-4,9,13H2,(H,14,15)
InChIKeyLNCSRBKPUNOOQN-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.01
Rot. Bonds3

About N-[(2-aminocyclohexyl)methyl]pyridin-4-amine

N-[(2-aminocyclohexyl)methyl]pyridin-4-amine (PubChem CID 64926899) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is N-[(2-aminocyclohexyl)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[(2-aminocyclohexyl)methyl]pyridin-4-amine
PubChem CID64926899
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC NameN-[(2-aminocyclohexyl)methyl]pyridin-4-amine
SMILESNC1CCCCC1CNc1ccncc1
InChIInChI=1S/C12H19N3/c13-12-4-2-1-3-10(12)9-15-11-5-7-14-8-6-11/h5-8,10,12H,1-4,9,13H2,(H,14,15)
InChIKeyLNCSRBKPUNOOQN-UHFFFAOYSA-N
XLogP2.01
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-aminocyclohexyl)methyl]pyridin-4-amine?
The IUPAC name of N-[(2-aminocyclohexyl)methyl]pyridin-4-amine (CID 64926899) is N-[(2-aminocyclohexyl)methyl]pyridin-4-amine.
What is the SMILES notation for N-[(2-aminocyclohexyl)methyl]pyridin-4-amine?
The canonical SMILES for N-[(2-aminocyclohexyl)methyl]pyridin-4-amine is NC1CCCCC1CNc1ccncc1.
What is the InChIKey of N-[(2-aminocyclohexyl)methyl]pyridin-4-amine?
The InChIKey is LNCSRBKPUNOOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c13-12-4-2-1-3-10(12)9-15-11-5-7-14-8-6-11/h5-8,10,12H,1-4,9,13H2,(H,14,15).
What are the key properties of N-[(2-aminocyclohexyl)methyl]pyridin-4-amine?
N-[(2-aminocyclohexyl)methyl]pyridin-4-amine has a molecular weight of 205.31 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminocyclohexyl)methyl]pyridin-4-amine is sourced from PubChem (CID 64926899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).