N-[1-(aminomethyl)cyclohexyl]-5-chloroquinolin-8-amine

C16H20ClN3 — CID 116783635

IUPACN-[1-(aminomethyl)cyclohexyl]-5-chloroquinolin-8-amine
SMILESNCC1(Nc2ccc(Cl)c3cccnc23)CCCCC1
InChIInChI=1S/C16H20ClN3/c17-13-6-7-14(15-12(13)5-4-10-19-15)20-16(11-18)8-2-1-3-9-16/h4-7,10,20H,1-3,8-9,11,18H2
InChIKeyHXFAPKIISDEQDV-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.96
Rot. Bonds3

About N-[1-(aminomethyl)cyclohexyl]-5-chloroquinolin-8-amine

N-[1-(aminomethyl)cyclohexyl]-5-chloroquinolin-8-amine (PubChem CID 116783635) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-5-chloroquinolin-8-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-5-chloroquinolin-8-amine
PubChem CID116783635
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-5-chloroquinolin-8-amine
SMILESNCC1(Nc2ccc(Cl)c3cccnc23)CCCCC1
InChIInChI=1S/C16H20ClN3/c17-13-6-7-14(15-12(13)5-4-10-19-15)20-16(11-18)8-2-1-3-9-16/h4-7,10,20H,1-3,8-9,11,18H2
InChIKeyHXFAPKIISDEQDV-UHFFFAOYSA-N
XLogP3.96
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)-3-methoxycyclobutyl]-5-chloroquinolin-8-amine
CID 106822333
8-N-(1-methylcyclopentyl)quinoline-5,8-diamine
CID 61364592
5-chloro-8-(sulfamoylamino)quinoline
CID 112573673
2-[1-(aminomethyl)cyclobutyl]-N-(8-chloroquinolin-5-yl)acetamide
CID 81172078
2-[1-[[(5-chloroquinolin-8-yl)amino]methyl]cyclopropyl]acetonitrile
CID 116784057
N-(5-chloroquinolin-8-yl)piperidine-1-carboxamide
CID 116783798
2-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine
CID 116797540
2-amino-N-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethyl]acetamide
CID 60928298
2-[(5-chloroquinolin-8-yl)amino]acetic acid
CID 116783965
2-N-(5-chloroquinolin-8-yl)-1,3-thiazole-2,5-diamine
CID 102769112
2-[(5-chloroquinolin-8-yl)amino]ethanesulfonamide
CID 114384833
N-(5-chloroquinolin-8-yl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 116785087

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]-5-chloroquinolin-8-amine?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-5-chloroquinolin-8-amine (CID 116783635) is N-[1-(aminomethyl)cyclohexyl]-5-chloroquinolin-8-amine.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-5-chloroquinolin-8-amine?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-5-chloroquinolin-8-amine is NCC1(Nc2ccc(Cl)c3cccnc23)CCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-5-chloroquinolin-8-amine?
The InChIKey is HXFAPKIISDEQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c17-13-6-7-14(15-12(13)5-4-10-19-15)20-16(11-18)8-2-1-3-9-16/h4-7,10,20H,1-3,8-9,11,18H2.
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-5-chloroquinolin-8-amine?
N-[1-(aminomethyl)cyclohexyl]-5-chloroquinolin-8-amine has a molecular weight of 289.81 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]-5-chloroquinolin-8-amine is sourced from PubChem (CID 116783635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).