1-cyclohexyl-2-N,2-N,2-trimethylbutane-1,2-diamine

C13H28N2 — CID 79064562

IUPAC1-cyclohexyl-2-N,2-N,2-trimethylbutane-1,2-diamine
SMILESCCC(C)(C(N)C1CCCCC1)N(C)C
InChIInChI=1S/C13H28N2/c1-5-13(2,15(3)4)12(14)11-9-7-6-8-10-11/h11-12H,5-10,14H2,1-4H3
InChIKeyTWISYOCINFYEFV-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.62
Rot. Bonds4

About 1-cyclohexyl-2-N,2-N,2-trimethylbutane-1,2-diamine

1-cyclohexyl-2-N,2-N,2-trimethylbutane-1,2-diamine (PubChem CID 79064562) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-cyclohexyl-2-N,2-N,2-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-2-N,2-N,2-trimethylbutane-1,2-diamine
PubChem CID79064562
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-cyclohexyl-2-N,2-N,2-trimethylbutane-1,2-diamine
SMILESCCC(C)(C(N)C1CCCCC1)N(C)C
InChIInChI=1S/C13H28N2/c1-5-13(2,15(3)4)12(14)11-9-7-6-8-10-11/h11-12H,5-10,14H2,1-4H3
InChIKeyTWISYOCINFYEFV-UHFFFAOYSA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptyl-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 82931326
1-cyclohexyl-2-(dimethylamino)-2-methylbutan-1-ol
CID 79064519
1-cycloheptyl-1-hydrazinyl-N,N,2-trimethylbutan-2-amine
CID 105240548
1-cyclopropyl-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
CID 79069292
1-cycloheptyl-2-ethoxy-2-methylpropan-1-amine
CID 116726355
1-cyclopentyl-2,2-dimethylpropane-1,3-diamine
CID 116933489
1-cyclopentyl-2,2-difluoropropan-1-amine
CID 84651643
1-cyclodecyl-N'-ethyl-N'-methylmethanediamine
CID 163495055
3-N,3-N,3,6-tetramethylheptane-3,4-diamine
CID 79063853
1-cyclohexyl-3-N,4-N,4-N,4-tetramethylhexane-3,4-diamine
CID 114192155
1-cyclohexyl-2-ethyl-2-phenylbutan-1-amine
CID 63418081
2-N,2-N,2-trimethyl-1-(2-phenylcyclopropyl)butane-1,2-diamine
CID 116517679

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-N,2-N,2-trimethylbutane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-2-N,2-N,2-trimethylbutane-1,2-diamine (CID 79064562) is 1-cyclohexyl-2-N,2-N,2-trimethylbutane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-2-N,2-N,2-trimethylbutane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-2-N,2-N,2-trimethylbutane-1,2-diamine is CCC(C)(C(N)C1CCCCC1)N(C)C.
What is the InChIKey of 1-cyclohexyl-2-N,2-N,2-trimethylbutane-1,2-diamine?
The InChIKey is TWISYOCINFYEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-13(2,15(3)4)12(14)11-9-7-6-8-10-11/h11-12H,5-10,14H2,1-4H3.
What are the key properties of 1-cyclohexyl-2-N,2-N,2-trimethylbutane-1,2-diamine?
1-cyclohexyl-2-N,2-N,2-trimethylbutane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-N,2-N,2-trimethylbutane-1,2-diamine is sourced from PubChem (CID 79064562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).