1-N,2-dimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine

C13H28N2 — CID 79811731

IUPAC1-N,2-dimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine
SMILESCCC(C)(N)CN(C)C1CCCCC1C
InChIInChI=1S/C13H28N2/c1-5-13(3,14)10-15(4)12-9-7-6-8-11(12)2/h11-12H,5-10,14H2,1-4H3
InChIKeyMEZOZXODLHLVSG-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.62
Rot. Bonds4

About 1-N,2-dimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine

1-N,2-dimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine (PubChem CID 79811731) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-N,2-dimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-dimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine
PubChem CID79811731
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-N,2-dimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine
SMILESCCC(C)(N)CN(C)C1CCCCC1C
InChIInChI=1S/C13H28N2/c1-5-13(3,14)10-15(4)12-9-7-6-8-11(12)2/h11-12H,5-10,14H2,1-4H3
InChIKeyMEZOZXODLHLVSG-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-(Aminomethyl)-N,N-dimethylcyclohexan-1-amine
CID 2113403
2-[(Diethylamino)methyl]cyclohexan-1-amine
CID 23009041
2-[(Dimethylamino)methyl]cyclohexan-1-amine
CID 23009040
(2-Amino-1-cyclohexylethyl)dimethylamine
CID 16228005
1-[(Dimethylamino)methyl]cyclohexan-1-amine
CID 28294539
[(2S)-2-amino-2-cyclohexylethyl]dimethylamine
CID 58598201
I(2)-Cyclohexyl-4-methyl-1-piperazineethanamine
CID 16789275
Cambridge id 5462877
CID 784458
1-(aminomethyl)-N,N-diethylcyclohexan-1-amine
CID 9079354
N,N-diethyl-N'-methyl-N'-(4-methylcyclohexyl)-1,2-ethanediamine
CID 784388
1-[(4-Methylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 28294547
(3S)-1-[(cis-4-aminocyclohexyl)methyl]-N,N-dimethylazepan-3-amine
CID 70782556

Frequently Asked Questions

What is the IUPAC name of 1-N,2-dimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine?
The IUPAC name of 1-N,2-dimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine (CID 79811731) is 1-N,2-dimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine.
What is the SMILES notation for 1-N,2-dimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine?
The canonical SMILES for 1-N,2-dimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine is CCC(C)(N)CN(C)C1CCCCC1C.
What is the InChIKey of 1-N,2-dimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine?
The InChIKey is MEZOZXODLHLVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-13(3,14)10-15(4)12-9-7-6-8-11(12)2/h11-12H,5-10,14H2,1-4H3.
What are the key properties of 1-N,2-dimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine?
1-N,2-dimethyl-1-N-(2-methylcyclohexyl)butane-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-N,2-dimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine is sourced from PubChem (CID 79811731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).