N',N'-dimethyl-N-(3-methylcyclohexyl)-1-phenylethane-1,2-diamine

C17H28N2 — CID 43079693

IUPACN',N'-dimethyl-N-(3-methylcyclohexyl)-1-phenylethane-1,2-diamine
SMILESCC1CCCC(NC(CN(C)C)c2ccccc2)C1
InChIInChI=1S/C17H28N2/c1-14-8-7-11-16(12-14)18-17(13-19(2)3)15-9-5-4-6-10-15/h4-6,9-10,14,16-18H,7-8,11-13H2,1-3H3
InChIKeyFTUNIKSAAGBKJS-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.46
Rot. Bonds5

About N',N'-dimethyl-N-(3-methylcyclohexyl)-1-phenylethane-1,2-diamine

N',N'-dimethyl-N-(3-methylcyclohexyl)-1-phenylethane-1,2-diamine (PubChem CID 43079693) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N',N'-dimethyl-N-(3-methylcyclohexyl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(3-methylcyclohexyl)-1-phenylethane-1,2-diamine
PubChem CID43079693
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN',N'-dimethyl-N-(3-methylcyclohexyl)-1-phenylethane-1,2-diamine
SMILESCC1CCCC(NC(CN(C)C)c2ccccc2)C1
InChIInChI=1S/C17H28N2/c1-14-8-7-11-16(12-14)18-17(13-19(2)3)15-9-5-4-6-10-15/h4-6,9-10,14,16-18H,7-8,11-13H2,1-3H3
InChIKeyFTUNIKSAAGBKJS-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylcyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 64774961
3-methyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
CID 12731669
N-(3,3-dimethyl-1-phenylbutyl)-3-methylcyclopentan-1-amine
CID 64502336
N',N'-dimethyl-1-phenyl-N-pyrrolidin-3-ylethane-1,2-diamine
CID 79724005
N-(2-methoxycyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 43768402
N-(1-benzylpiperidin-3-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 113222340
N-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 106658098
3-methylsulfanyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 103784503
3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine
CID 43224426
3-methyl-N-phenylmethoxycyclohexan-1-amine
CID 64974323
3-methyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
CID 107875909
3-amino-N-[2-(dimethylamino)-1-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119836139

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(3-methylcyclohexyl)-1-phenylethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(3-methylcyclohexyl)-1-phenylethane-1,2-diamine (CID 43079693) is N',N'-dimethyl-N-(3-methylcyclohexyl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(3-methylcyclohexyl)-1-phenylethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(3-methylcyclohexyl)-1-phenylethane-1,2-diamine is CC1CCCC(NC(CN(C)C)c2ccccc2)C1.
What is the InChIKey of N',N'-dimethyl-N-(3-methylcyclohexyl)-1-phenylethane-1,2-diamine?
The InChIKey is FTUNIKSAAGBKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14-8-7-11-16(12-14)18-17(13-19(2)3)15-9-5-4-6-10-15/h4-6,9-10,14,16-18H,7-8,11-13H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-(3-methylcyclohexyl)-1-phenylethane-1,2-diamine?
N',N'-dimethyl-N-(3-methylcyclohexyl)-1-phenylethane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(3-methylcyclohexyl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 43079693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).