4-methyl-N-(3-methylbut-2-enyl)hexan-2-amine

C12H25N — CID 106547240

IUPAC4-methyl-N-(3-methylbut-2-enyl)hexan-2-amine
SMILESCCC(C)CC(C)NCC=C(C)C
InChIInChI=1S/C12H25N/c1-6-11(4)9-12(5)13-8-7-10(2)3/h7,11-13H,6,8-9H2,1-5H3
InChIKeyGNBYEOFPLFKIPD-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.37
Rot. Bonds6

About 4-methyl-N-(3-methylbut-2-enyl)hexan-2-amine

4-methyl-N-(3-methylbut-2-enyl)hexan-2-amine (PubChem CID 106547240) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 4-methyl-N-(3-methylbut-2-enyl)hexan-2-amine.

Molecular Properties

Compound Name4-methyl-N-(3-methylbut-2-enyl)hexan-2-amine
PubChem CID106547240
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name4-methyl-N-(3-methylbut-2-enyl)hexan-2-amine
SMILESCCC(C)CC(C)NCC=C(C)C
InChIInChI=1S/C12H25N/c1-6-11(4)9-12(5)13-8-7-10(2)3/h7,11-13H,6,8-9H2,1-5H3
InChIKeyGNBYEOFPLFKIPD-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylbut-2-enyl)hexan-2-amine?
The IUPAC name of 4-methyl-N-(3-methylbut-2-enyl)hexan-2-amine (CID 106547240) is 4-methyl-N-(3-methylbut-2-enyl)hexan-2-amine.
What is the SMILES notation for 4-methyl-N-(3-methylbut-2-enyl)hexan-2-amine?
The canonical SMILES for 4-methyl-N-(3-methylbut-2-enyl)hexan-2-amine is CCC(C)CC(C)NCC=C(C)C.
What is the InChIKey of 4-methyl-N-(3-methylbut-2-enyl)hexan-2-amine?
The InChIKey is GNBYEOFPLFKIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-6-11(4)9-12(5)13-8-7-10(2)3/h7,11-13H,6,8-9H2,1-5H3.
What are the key properties of 4-methyl-N-(3-methylbut-2-enyl)hexan-2-amine?
4-methyl-N-(3-methylbut-2-enyl)hexan-2-amine has a molecular weight of 183.34 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylbut-2-enyl)hexan-2-amine is sourced from PubChem (CID 106547240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).