N-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylpropane-1,3-diamine

C16H34N2 — CID 62568594

IUPACN-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylpropane-1,3-diamine
SMILESCC(N(C)CCCNC1CCCCC1)C(C)(C)C
InChIInChI=1S/C16H34N2/c1-14(16(2,3)4)18(5)13-9-12-17-15-10-7-6-8-11-15/h14-15,17H,6-13H2,1-5H3
InChIKeyHLEOASZRJLXTQD-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds6

About N-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylpropane-1,3-diamine

N-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylpropane-1,3-diamine (PubChem CID 62568594) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylpropane-1,3-diamine
PubChem CID62568594
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylpropane-1,3-diamine
SMILESCC(N(C)CCCNC1CCCCC1)C(C)(C)C
InChIInChI=1S/C16H34N2/c1-14(16(2,3)4)18(5)13-9-12-17-15-10-7-6-8-11-15/h14-15,17H,6-13H2,1-5H3
InChIKeyHLEOASZRJLXTQD-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 112666260
N-(4-tert-butylcycloheptyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040900
N-cyclohexyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 62575849
N-cyclooctyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634350
N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 78991158
N-cyclohexyl-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 62562744
N-cyclopentyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 60850712
1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine
CID 113448166
N-cyclopentyl-N'-[3-(dimethylamino)propyl]-N'-methylpropane-1,3-diamine
CID 63726529
acetic acid;N-cyclopentadecyl-N',N'-dimethylpropane-1,3-diamine
CID 67913130
N'-cyclohexyl-N'-methyl-N-(4-propan-2-ylcyclohexyl)propane-1,3-diamine
CID 63451987
N-(5,5-dimethylhexyl)cyclohexanamine
CID 58974848

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylpropane-1,3-diamine (CID 62568594) is N-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylpropane-1,3-diamine is CC(N(C)CCCNC1CCCCC1)C(C)(C)C.
What is the InChIKey of N-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylpropane-1,3-diamine?
The InChIKey is HLEOASZRJLXTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-14(16(2,3)4)18(5)13-9-12-17-15-10-7-6-8-11-15/h14-15,17H,6-13H2,1-5H3.
What are the key properties of N-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylpropane-1,3-diamine?
N-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylpropane-1,3-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 62568594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).