4-methyl-N-(4-methylpent-1-en-3-yl)pent-1-en-3-amine

C12H23N — CID 23177078

IUPAC4-methyl-N-(4-methylpent-1-en-3-yl)pent-1-en-3-amine
SMILESC=CC(NC(C=C)C(C)C)C(C)C
InChIInChI=1S/C12H23N/c1-7-11(9(3)4)13-12(8-2)10(5)6/h7-13H,1-2H2,3-6H3
InChIKeyDIYVLVLWVKJLFN-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.00
Rot. Bonds6

About 4-methyl-N-(4-methylpent-1-en-3-yl)pent-1-en-3-amine

4-methyl-N-(4-methylpent-1-en-3-yl)pent-1-en-3-amine (PubChem CID 23177078) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 4-methyl-N-(4-methylpent-1-en-3-yl)pent-1-en-3-amine.

Molecular Properties

Compound Name4-methyl-N-(4-methylpent-1-en-3-yl)pent-1-en-3-amine
PubChem CID23177078
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name4-methyl-N-(4-methylpent-1-en-3-yl)pent-1-en-3-amine
SMILESC=CC(NC(C=C)C(C)C)C(C)C
InChIInChI=1S/C12H23N/c1-7-11(9(3)4)13-12(8-2)10(5)6/h7-13H,1-2H2,3-6H3
InChIKeyDIYVLVLWVKJLFN-UHFFFAOYSA-N
XLogP3.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.00
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-(4-methylpent-1-en-3-yl)pent-1-en-3-amine?
The IUPAC name of 4-methyl-N-(4-methylpent-1-en-3-yl)pent-1-en-3-amine (CID 23177078) is 4-methyl-N-(4-methylpent-1-en-3-yl)pent-1-en-3-amine.
What is the SMILES notation for 4-methyl-N-(4-methylpent-1-en-3-yl)pent-1-en-3-amine?
The canonical SMILES for 4-methyl-N-(4-methylpent-1-en-3-yl)pent-1-en-3-amine is C=CC(NC(C=C)C(C)C)C(C)C.
What is the InChIKey of 4-methyl-N-(4-methylpent-1-en-3-yl)pent-1-en-3-amine?
The InChIKey is DIYVLVLWVKJLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-7-11(9(3)4)13-12(8-2)10(5)6/h7-13H,1-2H2,3-6H3.
What are the key properties of 4-methyl-N-(4-methylpent-1-en-3-yl)pent-1-en-3-amine?
4-methyl-N-(4-methylpent-1-en-3-yl)pent-1-en-3-amine has a molecular weight of 181.32 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylpent-1-en-3-yl)pent-1-en-3-amine is sourced from PubChem (CID 23177078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).