4-N-quinolin-3-ylcyclohexane-1,4-diamine

C15H19N3 — CID 79724815

IUPAC4-N-quinolin-3-ylcyclohexane-1,4-diamine
SMILESNC1CCC(Nc2cnc3ccccc3c2)CC1
InChIInChI=1S/C15H19N3/c16-12-5-7-13(8-6-12)18-14-9-11-3-1-2-4-15(11)17-10-14/h1-4,9-10,12-13,18H,5-8,16H2
InChIKeyAIDRRQBDYIXUEK-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.92
Rot. Bonds2

About 4-N-quinolin-3-ylcyclohexane-1,4-diamine

4-N-quinolin-3-ylcyclohexane-1,4-diamine (PubChem CID 79724815) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-N-quinolin-3-ylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-quinolin-3-ylcyclohexane-1,4-diamine
PubChem CID79724815
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name4-N-quinolin-3-ylcyclohexane-1,4-diamine
SMILESNC1CCC(Nc2cnc3ccccc3c2)CC1
InChIInChI=1S/C15H19N3/c16-12-5-7-13(8-6-12)18-14-9-11-3-1-2-4-15(11)17-10-14/h1-4,9-10,12-13,18H,5-8,16H2
InChIKeyAIDRRQBDYIXUEK-UHFFFAOYSA-N
XLogP2.92
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylpiperidin-4-yl)quinolin-3-amine
CID 43691175
tert-butyl 4-(quinolin-3-ylamino)piperidine-1-carboxylate
CID 67196651
N-(1-propylazepan-4-yl)quinolin-3-amine
CID 65074656
N-(2-ethylcyclopentyl)quinolin-3-amine
CID 113483363
N-quinolin-3-ylhydroxylamine
CID 54286324
6-N-cyclopropyl-2-N-quinolin-3-yl-7H-purine-2,6-diamine
CID 58774172
4-N-quinoxalin-6-ylcyclohexane-1,4-diamine
CID 79731132
2-amino-N-quinolin-3-ylcyclopropane-1-carboxamide
CID 114995607
N-(piperidin-4-ylmethyl)quinolin-3-amine
CID 79707909
1-N-quinolin-6-ylcyclobutane-1,3-diamine
CID 80562353
3-N-(4-aminocyclohexyl)-2-N-methylquinoxaline-2,3-diamine
CID 71642527
tert-butyl N-[3-(quinolin-3-ylamino)cyclobutyl]carbamate
CID 103759434

Frequently Asked Questions

What is the IUPAC name of 4-N-quinolin-3-ylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-quinolin-3-ylcyclohexane-1,4-diamine (CID 79724815) is 4-N-quinolin-3-ylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-quinolin-3-ylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-quinolin-3-ylcyclohexane-1,4-diamine is NC1CCC(Nc2cnc3ccccc3c2)CC1.
What is the InChIKey of 4-N-quinolin-3-ylcyclohexane-1,4-diamine?
The InChIKey is AIDRRQBDYIXUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c16-12-5-7-13(8-6-12)18-14-9-11-3-1-2-4-15(11)17-10-14/h1-4,9-10,12-13,18H,5-8,16H2.
What are the key properties of 4-N-quinolin-3-ylcyclohexane-1,4-diamine?
4-N-quinolin-3-ylcyclohexane-1,4-diamine has a molecular weight of 241.34 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-quinolin-3-ylcyclohexane-1,4-diamine is sourced from PubChem (CID 79724815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).