2,2-diethyl-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine

C16H34N2 — CID 62260372

IUPAC2,2-diethyl-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
SMILESCCC(CC)(CNC)CN(C)C1CCC(C)CC1
InChIInChI=1S/C16H34N2/c1-6-16(7-2,12-17-4)13-18(5)15-10-8-14(3)9-11-15/h14-15,17H,6-13H2,1-5H3
InChIKeyBGJXIXANFWLDFE-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds7

About 2,2-diethyl-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine

2,2-diethyl-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine (PubChem CID 62260372) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 2,2-diethyl-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-diethyl-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
PubChem CID62260372
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name2,2-diethyl-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
SMILESCCC(CC)(CNC)CN(C)C1CCC(C)CC1
InChIInChI=1S/C16H34N2/c1-6-16(7-2,12-17-4)13-18(5)15-10-8-14(3)9-11-15/h14-15,17H,6-13H2,1-5H3
InChIKeyBGJXIXANFWLDFE-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 63494489
N-tert-butyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 63494862
2,2-diethyl-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82743370
N-cyclohexyl-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine
CID 55195594
N-tert-butyl-N'-cyclopentyl-2,2-diethyl-N'-methylpropane-1,3-diamine
CID 62263106
N-cyclopropyl-2,2-diethyl-N'-(4-ethylcyclohexyl)-N'-methylpropane-1,3-diamine
CID 63494314
N-cyclohexyl-N'-cyclopropyl-2,2-diethyl-N-methylpropane-1,3-diamine
CID 62263046
N-tert-butyl-2,2-diethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 62263050
N-(1-cyclopropylethyl)-2,2-diethyl-N,N'-dimethylpropane-1,3-diamine
CID 62257527
1-N,2-dimethyl-1-N-(4-methylcyclohexyl)pentane-1,2-diamine
CID 61438014
2,2-diethyl-N'-(4-ethylcyclohexyl)-N'-methylpropane-1,3-diamine
CID 62260394
2,2-diethyl-N,N'-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine
CID 55175585

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine?
The IUPAC name of 2,2-diethyl-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine (CID 62260372) is 2,2-diethyl-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine.
What is the SMILES notation for 2,2-diethyl-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine?
The canonical SMILES for 2,2-diethyl-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine is CCC(CC)(CNC)CN(C)C1CCC(C)CC1.
What is the InChIKey of 2,2-diethyl-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine?
The InChIKey is BGJXIXANFWLDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-16(7-2,12-17-4)13-18(5)15-10-8-14(3)9-11-15/h14-15,17H,6-13H2,1-5H3.
What are the key properties of 2,2-diethyl-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine?
2,2-diethyl-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine is sourced from PubChem (CID 62260372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).