1-cyclohexyl-3,3-dimethylbutane-1,2-diamine

C12H26N2 — CID 85238914

IUPAC1-cyclohexyl-3,3-dimethylbutane-1,2-diamine
SMILESCC(C)(C)C(N)C(N)C1CCCCC1
InChIInChI=1S/C12H26N2/c1-12(2,3)11(14)10(13)9-7-5-4-6-8-9/h9-11H,4-8,13-14H2,1-3H3
InChIKeyLYLCDBCBPDIXMH-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.27
Rot. Bonds2

About 1-cyclohexyl-3,3-dimethylbutane-1,2-diamine

1-cyclohexyl-3,3-dimethylbutane-1,2-diamine (PubChem CID 85238914) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-cyclohexyl-3,3-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-3,3-dimethylbutane-1,2-diamine
PubChem CID85238914
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-cyclohexyl-3,3-dimethylbutane-1,2-diamine
SMILESCC(C)(C)C(N)C(N)C1CCCCC1
InChIInChI=1S/C12H26N2/c1-12(2,3)11(14)10(13)9-7-5-4-6-8-9/h9-11H,4-8,13-14H2,1-3H3
InChIKeyLYLCDBCBPDIXMH-UHFFFAOYSA-N
XLogP2.27
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 20574714
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1-cyclopentyl-2,2-difluoropropan-1-amine
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1,3-diamino-1,3-dicyclohexylpropan-2-ol
CID 140971393
2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996
1-cyclohexyl-3,4,4-trimethylpentan-1-amine
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cyclohexyl(silyl)methanamine
CID 174790563
(1S)-1-cyclohexyl-3,3-dimethylbutan-1-amine
CID 130039908
cycloheptyl(cyclohexyl)methanamine
CID 65399873
1-cycloheptyl-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 82931326
1-cyclobutylpropane-1,2-diamine
CID 116932568
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3,3-dimethylbutane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-3,3-dimethylbutane-1,2-diamine (CID 85238914) is 1-cyclohexyl-3,3-dimethylbutane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-3,3-dimethylbutane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-3,3-dimethylbutane-1,2-diamine is CC(C)(C)C(N)C(N)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3,3-dimethylbutane-1,2-diamine?
The InChIKey is LYLCDBCBPDIXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-12(2,3)11(14)10(13)9-7-5-4-6-8-9/h9-11H,4-8,13-14H2,1-3H3.
What are the key properties of 1-cyclohexyl-3,3-dimethylbutane-1,2-diamine?
1-cyclohexyl-3,3-dimethylbutane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3,3-dimethylbutane-1,2-diamine is sourced from PubChem (CID 85238914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).