N-(4-ethylcyclohexyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine

C18H30N2 — CID 62413207

IUPACN-(4-ethylcyclohexyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine
SMILESCCC1CCC(N(C)C(CNC)c2ccccc2)CC1
InChIInChI=1S/C18H30N2/c1-4-15-10-12-17(13-11-15)20(3)18(14-19-2)16-8-6-5-7-9-16/h5-9,15,17-19H,4,10-14H2,1-3H3
InChIKeyCVUNURDRQIZJQI-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.85
Rot. Bonds6

About N-(4-ethylcyclohexyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine

N-(4-ethylcyclohexyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine (PubChem CID 62413207) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine
PubChem CID62413207
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-(4-ethylcyclohexyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine
SMILESCCC1CCC(N(C)C(CNC)c2ccccc2)CC1
InChIInChI=1S/C18H30N2/c1-4-15-10-12-17(13-11-15)20(3)18(14-19-2)16-8-6-5-7-9-16/h5-9,15,17-19H,4,10-14H2,1-3H3
InChIKeyCVUNURDRQIZJQI-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-dimethyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine
CID 55084951
N-cyclopentyl-N-methyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62417209
N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine
CID 43180194
3-N-(4-ethylcyclohexyl)-1-N,3-N,2-trimethylbutane-1,3-diamine
CID 79413799
N,N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 62417944
N-methyl-N-(4-methylcyclohexyl)-1-phenylethane-1,2-diamine
CID 61439510
N'-tert-butyl-N-cyclohexyl-N-methyl-1-phenylethane-1,2-diamine
CID 62423722
difluoromethylbenzene;ethylcyclopropane
CID 157034020
N-butyl-N,N'-dimethyl-1-phenylethane-1,2-diamine
CID 62424581
2-[(4-ethylcyclohexyl)-methylamino]-1-phenylbutan-1-one
CID 63566462
N-methyl-N-(4-methylcyclohexyl)-1-phenylpropane-1,3-diamine
CID 62778531
2-N-cyclopropyl-2-N-methyl-1-N-(1-phenylpropyl)propane-1,2-diamine
CID 103781587

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine?
The IUPAC name of N-(4-ethylcyclohexyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine (CID 62413207) is N-(4-ethylcyclohexyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-(4-ethylcyclohexyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N-(4-ethylcyclohexyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine is CCC1CCC(N(C)C(CNC)c2ccccc2)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine?
The InChIKey is CVUNURDRQIZJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-15-10-12-17(13-11-15)20(3)18(14-19-2)16-8-6-5-7-9-16/h5-9,15,17-19H,4,10-14H2,1-3H3.
What are the key properties of N-(4-ethylcyclohexyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine?
N-(4-ethylcyclohexyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 62413207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).