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

C18H30N2O — CID 54809683

IUPACN'-cyclohexyl-N'-methyl-N-(3-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1cccc(NCCN(C)C2CCCCC2)c1
InChIInChI=1S/C18H30N2O/c1-3-14-21-18-11-7-8-16(15-18)19-12-13-20(2)17-9-5-4-6-10-17/h7-8,11,15,17,19H,3-6,9-10,12-14H2,1-2H3
InChIKeyDMWJLPALKGMKOJ-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.15
Rot. Bonds8

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

N'-cyclohexyl-N'-methyl-N-(3-propoxyphenyl)ethane-1,2-diamine (PubChem CID 54809683) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N'-cyclohexyl-N'-methyl-N-(3-propoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-methyl-N-(3-propoxyphenyl)ethane-1,2-diamine
PubChem CID54809683
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN'-cyclohexyl-N'-methyl-N-(3-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1cccc(NCCN(C)C2CCCCC2)c1
InChIInChI=1S/C18H30N2O/c1-3-14-21-18-11-7-8-16(15-18)19-12-13-20(2)17-9-5-4-6-10-17/h7-8,11,15,17,19H,3-6,9-10,12-14H2,1-2H3
InChIKeyDMWJLPALKGMKOJ-UHFFFAOYSA-N
XLogP4.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N-methyl-2-(3-propoxyanilino)acetamide
CID 54825123
N-(3-butoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide
CID 54818028
3-butoxy-N-(cyclohexylmethyl)aniline
CID 54800630
N-(4-fluorophenyl)-N'-(3-propoxyphenyl)ethane-1,2-diamine
CID 54805927
N'-(3-ethoxyphenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
CID 54808068
N'-(2,6-dimethylphenyl)-N-(3-propoxyphenyl)ethane-1,2-diamine
CID 54810103
N-(3-hexoxyphenyl)-N',N'-dipropylethane-1,2-diamine
CID 54809503
N-[2-(2-methylphenyl)ethyl]-3-propoxyaniline
CID 54800496
3-[2-(dimethylamino)ethoxy]-N-heptylaniline
CID 43720868
N-[(1-methylpyrrolidin-2-yl)methyl]-3-propoxyaniline
CID 83961015
3-propoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64758477
5-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-N-propylpyridine-3,5-diamine
CID 104534597

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-methyl-N-(3-propoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclohexyl-N'-methyl-N-(3-propoxyphenyl)ethane-1,2-diamine (CID 54809683) is N'-cyclohexyl-N'-methyl-N-(3-propoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-methyl-N-(3-propoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclohexyl-N'-methyl-N-(3-propoxyphenyl)ethane-1,2-diamine is CCCOc1cccc(NCCN(C)C2CCCCC2)c1.
What is the InChIKey of N'-cyclohexyl-N'-methyl-N-(3-propoxyphenyl)ethane-1,2-diamine?
The InChIKey is DMWJLPALKGMKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-14-21-18-11-7-8-16(15-18)19-12-13-20(2)17-9-5-4-6-10-17/h7-8,11,15,17,19H,3-6,9-10,12-14H2,1-2H3.
What are the key properties of N'-cyclohexyl-N'-methyl-N-(3-propoxyphenyl)ethane-1,2-diamine?
N'-cyclohexyl-N'-methyl-N-(3-propoxyphenyl)ethane-1,2-diamine has a molecular weight of 290.45 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-methyl-N-(3-propoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54809683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).