3-N-(4-methylcyclohexyl)butane-2,3-diamine

C11H24N2 — CID 130573950

IUPAC3-N-(4-methylcyclohexyl)butane-2,3-diamine
SMILESCC1CCC(NC(C)C(C)N)CC1
InChIInChI=1S/C11H24N2/c1-8-4-6-11(7-5-8)13-10(3)9(2)12/h8-11,13H,4-7,12H2,1-3H3
InChIKeyNFMPEIBOQGKEMV-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.89
Rot. Bonds3

About 3-N-(4-methylcyclohexyl)butane-2,3-diamine

3-N-(4-methylcyclohexyl)butane-2,3-diamine (PubChem CID 130573950) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 3-N-(4-methylcyclohexyl)butane-2,3-diamine.

Molecular Properties

Compound Name3-N-(4-methylcyclohexyl)butane-2,3-diamine
PubChem CID130573950
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name3-N-(4-methylcyclohexyl)butane-2,3-diamine
SMILESCC1CCC(NC(C)C(C)N)CC1
InChIInChI=1S/C11H24N2/c1-8-4-6-11(7-5-8)13-10(3)9(2)12/h8-11,13H,4-7,12H2,1-3H3
InChIKeyNFMPEIBOQGKEMV-UHFFFAOYSA-N
XLogP1.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-dimethylcyclohexane;4-methyl-N-propan-2-ylcyclohexan-1-amine
CID 158687236
N-(3-methylbutan-2-yl)cyclopropanamine
CID 16772546
N-(3-methoxybutan-2-yl)-4-methylcycloheptan-1-amine
CID 102795157
N-(1,1-dimethoxypropan-2-yl)-4-methylcycloheptan-1-amine
CID 65080149
2-[(4-methylcyclohexyl)amino]propanoic acid
CID 23221764
N-(3,3-difluorobutan-2-yl)-4-methylcyclohexan-1-amine
CID 131161365
3-N-(2,2-dimethyloxan-4-yl)butane-2,3-diamine
CID 130574119
N-(1-ethylsulfonylpropan-2-yl)-4-methylcyclohexan-1-amine
CID 103914438
N-benzhydryl-4-methylcyclohexan-1-amine
CID 43079012
4-methyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine
CID 103901835
trans-(1S,3S)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 58394445
(1R)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 58394376

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-methylcyclohexyl)butane-2,3-diamine?
The IUPAC name of 3-N-(4-methylcyclohexyl)butane-2,3-diamine (CID 130573950) is 3-N-(4-methylcyclohexyl)butane-2,3-diamine.
What is the SMILES notation for 3-N-(4-methylcyclohexyl)butane-2,3-diamine?
The canonical SMILES for 3-N-(4-methylcyclohexyl)butane-2,3-diamine is CC1CCC(NC(C)C(C)N)CC1.
What is the InChIKey of 3-N-(4-methylcyclohexyl)butane-2,3-diamine?
The InChIKey is NFMPEIBOQGKEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-8-4-6-11(7-5-8)13-10(3)9(2)12/h8-11,13H,4-7,12H2,1-3H3.
What are the key properties of 3-N-(4-methylcyclohexyl)butane-2,3-diamine?
3-N-(4-methylcyclohexyl)butane-2,3-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-methylcyclohexyl)butane-2,3-diamine is sourced from PubChem (CID 130573950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).