1-N-(3-propoxyphenyl)cyclohexane-1,3-diamine

C15H24N2O — CID 79458462

IUPAC1-N-(3-propoxyphenyl)cyclohexane-1,3-diamine
SMILESCCCOc1cccc(NC2CCCC(N)C2)c1
InChIInChI=1S/C15H24N2O/c1-2-9-18-15-8-4-7-14(11-15)17-13-6-3-5-12(16)10-13/h4,7-8,11-13,17H,2-3,5-6,9-10,16H2,1H3
InChIKeyZMLNAGJEWJCJOV-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.16
Rot. Bonds5

About 1-N-(3-propoxyphenyl)cyclohexane-1,3-diamine

1-N-(3-propoxyphenyl)cyclohexane-1,3-diamine (PubChem CID 79458462) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-N-(3-propoxyphenyl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-(3-propoxyphenyl)cyclohexane-1,3-diamine
PubChem CID79458462
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-N-(3-propoxyphenyl)cyclohexane-1,3-diamine
SMILESCCCOc1cccc(NC2CCCC(N)C2)c1
InChIInChI=1S/C15H24N2O/c1-2-9-18-15-8-4-7-14(11-15)17-13-6-3-5-12(16)10-13/h4,7-8,11-13,17H,2-3,5-6,9-10,16H2,1H3
InChIKeyZMLNAGJEWJCJOV-UHFFFAOYSA-N
XLogP3.16
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethylcyclopentyl)-3-propoxyaniline
CID 64501066
2-[3-[(3-aminocyclohexyl)amino]phenoxy]acetonitrile
CID 79458944
N-(3-propoxyphenyl)azepan-4-amine
CID 103981177
1-N-(3-methylphenyl)cyclohexane-1,3-diamine
CID 79458335
N-(3-phenylcyclobutyl)-3-propoxyaniline
CID 43693771
1,1-dioxo-N-(3-propoxyphenyl)thian-4-amine
CID 43693787
1-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclobutane-1,3-diamine
CID 80559817
1,1-dioxo-N-(3-propoxyphenyl)thian-3-amine
CID 63909303
3-propoxy-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64753647
N-(2,3-dimethylcyclohexyl)-3-propoxyaniline
CID 64761419
methyl N-[3-[(3-aminocyclohexyl)amino]phenyl]carbamate
CID 79459255
N-[3-(2-methoxyethoxy)phenyl]cycloheptanamine
CID 54864785

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-propoxyphenyl)cyclohexane-1,3-diamine?
The IUPAC name of 1-N-(3-propoxyphenyl)cyclohexane-1,3-diamine (CID 79458462) is 1-N-(3-propoxyphenyl)cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-(3-propoxyphenyl)cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-(3-propoxyphenyl)cyclohexane-1,3-diamine is CCCOc1cccc(NC2CCCC(N)C2)c1.
What is the InChIKey of 1-N-(3-propoxyphenyl)cyclohexane-1,3-diamine?
The InChIKey is ZMLNAGJEWJCJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-9-18-15-8-4-7-14(11-15)17-13-6-3-5-12(16)10-13/h4,7-8,11-13,17H,2-3,5-6,9-10,16H2,1H3.
What are the key properties of 1-N-(3-propoxyphenyl)cyclohexane-1,3-diamine?
1-N-(3-propoxyphenyl)cyclohexane-1,3-diamine has a molecular weight of 248.37 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-propoxyphenyl)cyclohexane-1,3-diamine is sourced from PubChem (CID 79458462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).