N-(4-methylpentan-2-yl)hexan-1-amine

C12H27N — CID 43101723

IUPACN-(4-methylpentan-2-yl)hexan-1-amine
SMILESCCCCCCNC(C)CC(C)C
InChIInChI=1S/C12H27N/c1-5-6-7-8-9-13-12(4)10-11(2)3/h11-13H,5-10H2,1-4H3
InChIKeyOMJWGWMVEIIWIZ-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.59
Rot. Bonds8

About N-(4-methylpentan-2-yl)hexan-1-amine

N-(4-methylpentan-2-yl)hexan-1-amine (PubChem CID 43101723) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N-(4-methylpentan-2-yl)hexan-1-amine.

Molecular Properties

Compound NameN-(4-methylpentan-2-yl)hexan-1-amine
PubChem CID43101723
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN-(4-methylpentan-2-yl)hexan-1-amine
SMILESCCCCCCNC(C)CC(C)C
InChIInChI=1S/C12H27N/c1-5-6-7-8-9-13-12(4)10-11(2)3/h11-13H,5-10H2,1-4H3
InChIKeyOMJWGWMVEIIWIZ-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentan-2-yl)hexan-1-amine?
The IUPAC name of N-(4-methylpentan-2-yl)hexan-1-amine (CID 43101723) is N-(4-methylpentan-2-yl)hexan-1-amine.
What is the SMILES notation for N-(4-methylpentan-2-yl)hexan-1-amine?
The canonical SMILES for N-(4-methylpentan-2-yl)hexan-1-amine is CCCCCCNC(C)CC(C)C.
What is the InChIKey of N-(4-methylpentan-2-yl)hexan-1-amine?
The InChIKey is OMJWGWMVEIIWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-5-6-7-8-9-13-12(4)10-11(2)3/h11-13H,5-10H2,1-4H3.
What are the key properties of N-(4-methylpentan-2-yl)hexan-1-amine?
N-(4-methylpentan-2-yl)hexan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentan-2-yl)hexan-1-amine is sourced from PubChem (CID 43101723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).