2-methyl-1,2-di(propan-2-yl)cyclohexane-1,3-diamine

C13H28N2 — CID 137442786

IUPAC2-methyl-1,2-di(propan-2-yl)cyclohexane-1,3-diamine
SMILESCC(C)C1(N)CCCC(N)C1(C)C(C)C
InChIInChI=1S/C13H28N2/c1-9(2)12(5)11(14)7-6-8-13(12,15)10(3)4/h9-11H,6-8,14-15H2,1-5H3
InChIKeyVOCXRKILKMHYDS-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.51
Rot. Bonds2

About 2-methyl-1,2-di(propan-2-yl)cyclohexane-1,3-diamine

2-methyl-1,2-di(propan-2-yl)cyclohexane-1,3-diamine (PubChem CID 137442786) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-methyl-1,2-di(propan-2-yl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-1,2-di(propan-2-yl)cyclohexane-1,3-diamine
PubChem CID137442786
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-methyl-1,2-di(propan-2-yl)cyclohexane-1,3-diamine
SMILESCC(C)C1(N)CCCC(N)C1(C)C(C)C
InChIInChI=1S/C13H28N2/c1-9(2)12(5)11(14)7-6-8-13(12,15)10(3)4/h9-11H,6-8,14-15H2,1-5H3
InChIKeyVOCXRKILKMHYDS-UHFFFAOYSA-N
XLogP2.51
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-2-propan-2-ylcyclopentan-1-amine
CID 174265419
1-(2-amino-1-methylcyclopentyl)-3-methylbutan-1-one
CID 116607171
2-fluoro-2-propan-2-ylcyclohexan-1-amine
CID 170384462
trans-(1S,2S)-2-fluoro-2-propan-2-ylcyclohexan-1-amine
CID 174265747
3-methyl-3-propan-2-ylcyclohexan-1-amine
CID 19888682
trans-(1R,2S)-1-methylcyclobutane-1,2-diamine
CID 12699189
(4R,9R)-spiro[4.4]nonane-4,9-diamine
CID 45098389
(4R)-spiro[4.4]nonane-4,9-diamine
CID 67207240
1,2-diaminocyclopentan-1-ol
CID 22410822
2-amino-N,1-dimethyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 82764782
propan-2-yl 2-amino-1-methylcyclopentane-1-carboxylate
CID 82762646
1-methyl-4-propan-2-ylcycloheptan-1-amine
CID 65086761

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2-di(propan-2-yl)cyclohexane-1,3-diamine?
The IUPAC name of 2-methyl-1,2-di(propan-2-yl)cyclohexane-1,3-diamine (CID 137442786) is 2-methyl-1,2-di(propan-2-yl)cyclohexane-1,3-diamine.
What is the SMILES notation for 2-methyl-1,2-di(propan-2-yl)cyclohexane-1,3-diamine?
The canonical SMILES for 2-methyl-1,2-di(propan-2-yl)cyclohexane-1,3-diamine is CC(C)C1(N)CCCC(N)C1(C)C(C)C.
What is the InChIKey of 2-methyl-1,2-di(propan-2-yl)cyclohexane-1,3-diamine?
The InChIKey is VOCXRKILKMHYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-9(2)12(5)11(14)7-6-8-13(12,15)10(3)4/h9-11H,6-8,14-15H2,1-5H3.
What are the key properties of 2-methyl-1,2-di(propan-2-yl)cyclohexane-1,3-diamine?
2-methyl-1,2-di(propan-2-yl)cyclohexane-1,3-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2-di(propan-2-yl)cyclohexane-1,3-diamine is sourced from PubChem (CID 137442786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).