N-(4-methylpent-1-en-2-yl)hexan-1-amine

C12H25N — CID 129308311

IUPACN-(4-methylpent-1-en-2-yl)hexan-1-amine
SMILESC=C(CC(C)C)NCCCCCC
InChIInChI=1S/C12H25N/c1-5-6-7-8-9-13-12(4)10-11(2)3/h11,13H,4-10H2,1-3H3
InChIKeyXPERURODXDUXAB-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.72
Rot. Bonds8

About N-(4-methylpent-1-en-2-yl)hexan-1-amine

N-(4-methylpent-1-en-2-yl)hexan-1-amine (PubChem CID 129308311) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-(4-methylpent-1-en-2-yl)hexan-1-amine.

Molecular Properties

Compound NameN-(4-methylpent-1-en-2-yl)hexan-1-amine
PubChem CID129308311
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-(4-methylpent-1-en-2-yl)hexan-1-amine
SMILESC=C(CC(C)C)NCCCCCC
InChIInChI=1S/C12H25N/c1-5-6-7-8-9-13-12(4)10-11(2)3/h11,13H,4-10H2,1-3H3
InChIKeyXPERURODXDUXAB-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.72
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-methylpent-1-en-2-yl)hexan-1-amine?
The IUPAC name of N-(4-methylpent-1-en-2-yl)hexan-1-amine (CID 129308311) is N-(4-methylpent-1-en-2-yl)hexan-1-amine.
What is the SMILES notation for N-(4-methylpent-1-en-2-yl)hexan-1-amine?
The canonical SMILES for N-(4-methylpent-1-en-2-yl)hexan-1-amine is C=C(CC(C)C)NCCCCCC.
What is the InChIKey of N-(4-methylpent-1-en-2-yl)hexan-1-amine?
The InChIKey is XPERURODXDUXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-5-6-7-8-9-13-12(4)10-11(2)3/h11,13H,4-10H2,1-3H3.
What are the key properties of N-(4-methylpent-1-en-2-yl)hexan-1-amine?
N-(4-methylpent-1-en-2-yl)hexan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpent-1-en-2-yl)hexan-1-amine is sourced from PubChem (CID 129308311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).