1-cyclohexyl-N,N',N'-trimethylpropane-1,3-diamine

C12H26N2 — CID 115346257

IUPAC1-cyclohexyl-N,N',N'-trimethylpropane-1,3-diamine
SMILESCNC(CCN(C)C)C1CCCCC1
InChIInChI=1S/C12H26N2/c1-13-12(9-10-14(2)3)11-7-5-4-6-8-11/h11-13H,4-10H2,1-3H3
InChIKeyBASBCARACHWBFF-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.11
Rot. Bonds5

About 1-cyclohexyl-N,N',N'-trimethylpropane-1,3-diamine

1-cyclohexyl-N,N',N'-trimethylpropane-1,3-diamine (PubChem CID 115346257) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-cyclohexyl-N,N',N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N,N',N'-trimethylpropane-1,3-diamine
PubChem CID115346257
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-cyclohexyl-N,N',N'-trimethylpropane-1,3-diamine
SMILESCNC(CCN(C)C)C1CCCCC1
InChIInChI=1S/C12H26N2/c1-13-12(9-10-14(2)3)11-7-5-4-6-8-11/h11-13H,4-10H2,1-3H3
InChIKeyBASBCARACHWBFF-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylcyclohexyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346285
3-cyclopentyl-3-(methylamino)propane-1-thiol
CID 116831478
1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylethanamine
CID 104745994
1-cyclohexyl-N-methylpent-4-yn-1-amine
CID 63657872
1-cyclohexyl-N'-cyclopropyl-N,N'-dimethylethane-1,2-diamine
CID 104744627
2-cyclopentyl-2-hydrazinyl-N,N-dimethylethanamine
CID 105244656
1-cyclooctyl-4-methoxy-N-methylbutan-1-amine
CID 114856649
1-cyclobutyl-N,3-dimethylbutan-1-amine
CID 64986919
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346448
N'-(cyclohexylmethyl)-1-cyclopentyl-N,N'-dimethylethane-1,2-diamine
CID 113448127
1-cyclohexyl-N'-(cyclohexylmethyl)-N,N'-dimethylethane-1,2-diamine
CID 104745310
1-cyclohexyl-N-methyl-3-propoxypropan-1-amine
CID 105079512

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N,N',N'-trimethylpropane-1,3-diamine?
The IUPAC name of 1-cyclohexyl-N,N',N'-trimethylpropane-1,3-diamine (CID 115346257) is 1-cyclohexyl-N,N',N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for 1-cyclohexyl-N,N',N'-trimethylpropane-1,3-diamine?
The canonical SMILES for 1-cyclohexyl-N,N',N'-trimethylpropane-1,3-diamine is CNC(CCN(C)C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N,N',N'-trimethylpropane-1,3-diamine?
The InChIKey is BASBCARACHWBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-13-12(9-10-14(2)3)11-7-5-4-6-8-11/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-cyclohexyl-N,N',N'-trimethylpropane-1,3-diamine?
1-cyclohexyl-N,N',N'-trimethylpropane-1,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N,N',N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 115346257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).