4-N-cinnolin-4-yl-4-N-propylcyclohexane-1,4-diamine

C17H24N4 — CID 79117876

IUPAC4-N-cinnolin-4-yl-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(c1cnnc2ccccc12)C1CCC(N)CC1
InChIInChI=1S/C17H24N4/c1-2-11-21(14-9-7-13(18)8-10-14)17-12-19-20-16-6-4-3-5-15(16)17/h3-6,12-14H,2,7-11,18H2,1H3
InChIKeyZNVQXIJSIRJIFA-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.12
Rot. Bonds4

About 4-N-cinnolin-4-yl-4-N-propylcyclohexane-1,4-diamine

4-N-cinnolin-4-yl-4-N-propylcyclohexane-1,4-diamine (PubChem CID 79117876) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-N-cinnolin-4-yl-4-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-cinnolin-4-yl-4-N-propylcyclohexane-1,4-diamine
PubChem CID79117876
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-N-cinnolin-4-yl-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(c1cnnc2ccccc12)C1CCC(N)CC1
InChIInChI=1S/C17H24N4/c1-2-11-21(14-9-7-13(18)8-10-14)17-12-19-20-16-6-4-3-5-15(16)17/h3-6,12-14H,2,7-11,18H2,1H3
InChIKeyZNVQXIJSIRJIFA-UHFFFAOYSA-N
XLogP3.12
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azetidin-3-yl)-N-propylcinnolin-4-amine
CID 66216744
N-(2-bromoethyl)-N-cyclohexylcinnolin-4-amine
CID 80676406
4-[cyclopropyl(propyl)amino]quinoline-3-carbothioamide
CID 43669639
4-N-(6-methylpyridazin-3-yl)-4-N-propylcyclohexane-1,4-diamine
CID 79111539
4-N-(6-chloropyridazin-3-yl)-4-N-propylcyclohexane-1,4-diamine
CID 79111682
4-N-(5-methyl-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine
CID 79112114
4-(aminomethyl)-N-cyclopropyl-N-propylquinolin-2-amine
CID 62299647
2-N-(4-ethylcyclohexyl)-2-N-propylbenzene-1,2-diamine
CID 64748723
4-N-benzyl-4-N-propylcyclohexane-1,4-diamine
CID 79112362
4-N-(3-fluoro-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine
CID 79112187
N-(2-bromocyclohexyl)-N-methylcinnolin-4-amine
CID 102637586
[4-[butyl(cyclopropyl)amino]quinolin-2-yl]methanol
CID 63375838

Frequently Asked Questions

What is the IUPAC name of 4-N-cinnolin-4-yl-4-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-cinnolin-4-yl-4-N-propylcyclohexane-1,4-diamine (CID 79117876) is 4-N-cinnolin-4-yl-4-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-cinnolin-4-yl-4-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-cinnolin-4-yl-4-N-propylcyclohexane-1,4-diamine is CCCN(c1cnnc2ccccc12)C1CCC(N)CC1.
What is the InChIKey of 4-N-cinnolin-4-yl-4-N-propylcyclohexane-1,4-diamine?
The InChIKey is ZNVQXIJSIRJIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-2-11-21(14-9-7-13(18)8-10-14)17-12-19-20-16-6-4-3-5-15(16)17/h3-6,12-14H,2,7-11,18H2,1H3.
What are the key properties of 4-N-cinnolin-4-yl-4-N-propylcyclohexane-1,4-diamine?
4-N-cinnolin-4-yl-4-N-propylcyclohexane-1,4-diamine has a molecular weight of 284.41 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cinnolin-4-yl-4-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 79117876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).