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

C18H30N2 — CID 64774961

IUPACN-(2,4-dimethylcyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
SMILESCC1CCC(NC(CN(C)C)c2ccccc2)C(C)C1
InChIInChI=1S/C18H30N2/c1-14-10-11-17(15(2)12-14)19-18(13-20(3)4)16-8-6-5-7-9-16/h5-9,14-15,17-19H,10-13H2,1-4H3
InChIKeyYHHFFZFTSZNURX-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.70
Rot. Bonds5

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

N-(2,4-dimethylcyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine (PubChem CID 64774961) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
PubChem CID64774961
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-(2,4-dimethylcyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
SMILESCC1CCC(NC(CN(C)C)c2ccccc2)C(C)C1
InChIInChI=1S/C18H30N2/c1-14-10-11-17(15(2)12-14)19-18(13-20(3)4)16-8-6-5-7-9-16/h5-9,14-15,17-19H,10-13H2,1-4H3
InChIKeyYHHFFZFTSZNURX-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 63994859
N',N'-dimethyl-N-(3-methylcyclohexyl)-1-phenylethane-1,2-diamine
CID 43079693
N-(2-methoxycyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 43768402
2,4-dimethyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine
CID 63994661
N',N'-dimethyl-1-phenyl-N-pyrrolidin-3-ylethane-1,2-diamine
CID 79724005
N-[1-(4-chlorophenyl)propyl]-2,4-dimethylcyclohexan-1-amine
CID 63994473
2,4-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine
CID 79008149
2,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 63995673
3-[[2-(dimethylamino)-1-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol
CID 112633286
N-(3,3-dimethyl-1-phenylbutyl)-3-methylcyclopentan-1-amine
CID 64502336
N-(3,3-dimethyl-1-phenylbutyl)-2-methylcyclopentan-1-amine
CID 63462773
N'-(2,5-dimethylcyclohexyl)-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 64774136

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylcyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The IUPAC name of N-(2,4-dimethylcyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine (CID 64774961) is N-(2,4-dimethylcyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine is CC1CCC(NC(CN(C)C)c2ccccc2)C(C)C1.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The InChIKey is YHHFFZFTSZNURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-14-10-11-17(15(2)12-14)19-18(13-20(3)4)16-8-6-5-7-9-16/h5-9,14-15,17-19H,10-13H2,1-4H3.
What are the key properties of N-(2,4-dimethylcyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine?
N-(2,4-dimethylcyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylcyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 64774961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).