N-cyclohexyl-1-(3-propoxyphenyl)ethane-1,2-diamine

C17H28N2O — CID 65383679

IUPACN-cyclohexyl-1-(3-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1cccc(C(CN)NC2CCCCC2)c1
InChIInChI=1S/C17H28N2O/c1-2-11-20-16-10-6-7-14(12-16)17(13-18)19-15-8-4-3-5-9-15/h6-7,10,12,15,17,19H,2-5,8-9,11,13,18H2,1H3
InChIKeyGEZJCXHWNFUITP-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.40
Rot. Bonds7

About N-cyclohexyl-1-(3-propoxyphenyl)ethane-1,2-diamine

N-cyclohexyl-1-(3-propoxyphenyl)ethane-1,2-diamine (PubChem CID 65383679) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-cyclohexyl-1-(3-propoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclohexyl-1-(3-propoxyphenyl)ethane-1,2-diamine
PubChem CID65383679
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-cyclohexyl-1-(3-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1cccc(C(CN)NC2CCCCC2)c1
InChIInChI=1S/C17H28N2O/c1-2-11-20-16-10-6-7-14(12-16)17(13-18)19-15-8-4-3-5-9-15/h6-7,10,12,15,17,19H,2-5,8-9,11,13,18H2,1H3
InChIKeyGEZJCXHWNFUITP-UHFFFAOYSA-N
XLogP3.40
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-1-(3-ethoxyphenyl)ethane-1,2-diamine
CID 65383474
N-(2,2-difluoroethyl)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 115406289
2-(cyclohexylamino)-2-(3-ethoxyphenyl)ethanol
CID 61047485
2-(cyclopropylamino)-2-(3-propoxyphenyl)acetonitrile
CID 55079116
N-[cyclopentyl-(3-propoxyphenyl)methyl]propan-1-amine
CID 115778492
N-cycloheptyl-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65379732
2-cyclopentyl-1-(3-propoxyphenyl)ethanol
CID 65146182
1-(3-propoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 65380972
N-methyl-1-(3-propoxyphenyl)propan-1-amine
CID 114979549
(1R)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 66516554
N-[cyclobutyl-(3-propoxyphenyl)methyl]propan-1-amine
CID 105049374
[3-methyl-1-(3-propoxyphenyl)butyl]hydrazine
CID 105282817

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(3-propoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-cyclohexyl-1-(3-propoxyphenyl)ethane-1,2-diamine (CID 65383679) is N-cyclohexyl-1-(3-propoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclohexyl-1-(3-propoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclohexyl-1-(3-propoxyphenyl)ethane-1,2-diamine is CCCOc1cccc(C(CN)NC2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-1-(3-propoxyphenyl)ethane-1,2-diamine?
The InChIKey is GEZJCXHWNFUITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-2-11-20-16-10-6-7-14(12-16)17(13-18)19-15-8-4-3-5-9-15/h6-7,10,12,15,17,19H,2-5,8-9,11,13,18H2,1H3.
What are the key properties of N-cyclohexyl-1-(3-propoxyphenyl)ethane-1,2-diamine?
N-cyclohexyl-1-(3-propoxyphenyl)ethane-1,2-diamine has a molecular weight of 276.42 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(3-propoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65383679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).