N'-cyclohexyl-N'-ethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine

C19H32N2 — CID 43108213

IUPACN'-cyclohexyl-N'-ethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCCN(CC(N)c1ccc(C(C)C)cc1)C1CCCCC1
InChIInChI=1S/C19H32N2/c1-4-21(18-8-6-5-7-9-18)14-19(20)17-12-10-16(11-13-17)15(2)3/h10-13,15,18-19H,4-9,14,20H2,1-3H3
InChIKeyADAXXXRYXUAJGU-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.46
Rot. Bonds6

About N'-cyclohexyl-N'-ethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine

N'-cyclohexyl-N'-ethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine (PubChem CID 43108213) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N'-cyclohexyl-N'-ethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-ethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
PubChem CID43108213
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN'-cyclohexyl-N'-ethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCCN(CC(N)c1ccc(C(C)C)cc1)C1CCCCC1
InChIInChI=1S/C19H32N2/c1-4-21(18-8-6-5-7-9-18)14-19(20)17-12-10-16(11-13-17)15(2)3/h10-13,15,18-19H,4-9,14,20H2,1-3H3
InChIKeyADAXXXRYXUAJGU-UHFFFAOYSA-N
XLogP4.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopentyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43541052
N'-cyclopentyl-1-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine
CID 43541063
N'-cyclopentyl-1-(3,4-difluorophenyl)-N'-ethylethane-1,2-diamine
CID 107519650
N'-cyclopropyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43264141
N'-cyclopentyl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 61308928
N'-cyclopentyl-N'-ethyl-1-(3-fluorophenyl)ethane-1,2-diamine
CID 107519652
N'-methyl-N'-(3-methylcyclohexyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 63469595
N'-cyclohexyl-1-(2,4-dimethylphenyl)-N'-ethylethane-1,2-diamine
CID 43103531
1-(4-bromophenyl)-N'-cyclopentyl-N'-ethylpropane-1,3-diamine
CID 62617204
2-cycloheptyl-1-(4-propan-2-ylphenyl)ethanamine
CID 114457625
1-N-cyclohexyl-1-N-ethylbutane-1,2-diamine
CID 43649724
1-(1,3-benzodioxol-5-yl)-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 43264160

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-ethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclohexyl-N'-ethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine (CID 43108213) is N'-cyclohexyl-N'-ethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-ethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclohexyl-N'-ethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine is CCN(CC(N)c1ccc(C(C)C)cc1)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N'-ethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The InChIKey is ADAXXXRYXUAJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-21(18-8-6-5-7-9-18)14-19(20)17-12-10-16(11-13-17)15(2)3/h10-13,15,18-19H,4-9,14,20H2,1-3H3.
What are the key properties of N'-cyclohexyl-N'-ethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
N'-cyclohexyl-N'-ethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine has a molecular weight of 288.48 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-ethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 43108213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).