[4-(2-methylbutyl)cyclohexyl]methanamine

C12H25N — CID 130208059

IUPAC[4-(2-methylbutyl)cyclohexyl]methanamine
SMILESCCC(C)CC1CCC(CN)CC1
InChIInChI=1S/C12H25N/c1-3-10(2)8-11-4-6-12(9-13)7-5-11/h10-12H,3-9,13H2,1-2H3
InChIKeyMYHAUKIMCOLVCS-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.19
Rot. Bonds4

About [4-(2-methylbutyl)cyclohexyl]methanamine

[4-(2-methylbutyl)cyclohexyl]methanamine (PubChem CID 130208059) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is [4-(2-methylbutyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(2-methylbutyl)cyclohexyl]methanamine
PubChem CID130208059
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name[4-(2-methylbutyl)cyclohexyl]methanamine
SMILESCCC(C)CC1CCC(CN)CC1
InChIInChI=1S/C12H25N/c1-3-10(2)8-11-4-6-12(9-13)7-5-11/h10-12H,3-9,13H2,1-2H3
InChIKeyMYHAUKIMCOLVCS-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylbutyl)cyclohexyl]methanamine?
The IUPAC name of [4-(2-methylbutyl)cyclohexyl]methanamine (CID 130208059) is [4-(2-methylbutyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-(2-methylbutyl)cyclohexyl]methanamine?
The canonical SMILES for [4-(2-methylbutyl)cyclohexyl]methanamine is CCC(C)CC1CCC(CN)CC1.
What is the InChIKey of [4-(2-methylbutyl)cyclohexyl]methanamine?
The InChIKey is MYHAUKIMCOLVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-3-10(2)8-11-4-6-12(9-13)7-5-11/h10-12H,3-9,13H2,1-2H3.
What are the key properties of [4-(2-methylbutyl)cyclohexyl]methanamine?
[4-(2-methylbutyl)cyclohexyl]methanamine has a molecular weight of 183.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylbutyl)cyclohexyl]methanamine is sourced from PubChem (CID 130208059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).