N-[1-(aminomethyl)-2-methylcyclohexyl]quinolin-2-amine

C17H23N3 — CID 115309064

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]quinolin-2-amine
SMILESCC1CCCCC1(CN)Nc1ccc2ccccc2n1
InChIInChI=1S/C17H23N3/c1-13-6-4-5-11-17(13,12-18)20-16-10-9-14-7-2-3-8-15(14)19-16/h2-3,7-10,13H,4-6,11-12,18H2,1H3,(H,19,20)
InChIKeyNYSCCKKYAZHOCB-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.55
Rot. Bonds3

About N-[1-(aminomethyl)-2-methylcyclohexyl]quinolin-2-amine

N-[1-(aminomethyl)-2-methylcyclohexyl]quinolin-2-amine (PubChem CID 115309064) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]quinolin-2-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]quinolin-2-amine
PubChem CID115309064
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]quinolin-2-amine
SMILESCC1CCCCC1(CN)Nc1ccc2ccccc2n1
InChIInChI=1S/C17H23N3/c1-13-6-4-5-11-17(13,12-18)20-16-10-9-14-7-2-3-8-15(14)19-16/h2-3,7-10,13H,4-6,11-12,18H2,1H3,(H,19,20)
InChIKeyNYSCCKKYAZHOCB-UHFFFAOYSA-N
XLogP3.55
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]quinolin-2-amine?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]quinolin-2-amine (CID 115309064) is N-[1-(aminomethyl)-2-methylcyclohexyl]quinolin-2-amine.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]quinolin-2-amine?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]quinolin-2-amine is CC1CCCCC1(CN)Nc1ccc2ccccc2n1.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]quinolin-2-amine?
The InChIKey is NYSCCKKYAZHOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13-6-4-5-11-17(13,12-18)20-16-10-9-14-7-2-3-8-15(14)19-16/h2-3,7-10,13H,4-6,11-12,18H2,1H3,(H,19,20).
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]quinolin-2-amine?
N-[1-(aminomethyl)-2-methylcyclohexyl]quinolin-2-amine has a molecular weight of 269.39 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]quinolin-2-amine is sourced from PubChem (CID 115309064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).