4,4,5,8,8,9-hexamethyl-N-(5-methyl-4-methylidenehex-5-enyl)deca-1,9-dien-2-amine

C24H43N — CID 139502968

IUPAC4,4,5,8,8,9-hexamethyl-N-(5-methyl-4-methylidenehex-5-enyl)deca-1,9-dien-2-amine
SMILESC=C(CC(C)(C)C(C)CCC(C)(C)C(=C)C)NCCCC(=C)C(=C)C
InChIInChI=1S/C24H43N/c1-18(2)20(5)13-12-16-25-22(7)17-24(10,11)21(6)14-15-23(8,9)19(3)4/h21,25H,1,3,5,7,12-17H2,2,4,6,8-11H3
InChIKeyQIAPJKKHGMXWQH-UHFFFAOYSA-N
MW345.62 g/mol
LogP7.44
Rot. Bonds13

About 4,4,5,8,8,9-hexamethyl-N-(5-methyl-4-methylidenehex-5-enyl)deca-1,9-dien-2-amine

4,4,5,8,8,9-hexamethyl-N-(5-methyl-4-methylidenehex-5-enyl)deca-1,9-dien-2-amine (PubChem CID 139502968) has the molecular formula C24H43N and a molecular weight of 345.62 g/mol. Its IUPAC name is 4,4,5,8,8,9-hexamethyl-N-(5-methyl-4-methylidenehex-5-enyl)deca-1,9-dien-2-amine.

Molecular Properties

Compound Name4,4,5,8,8,9-hexamethyl-N-(5-methyl-4-methylidenehex-5-enyl)deca-1,9-dien-2-amine
PubChem CID139502968
Molecular FormulaC24H43N
Molecular Weight345.62 g/mol
Exact Mass345.34
IUPAC Name4,4,5,8,8,9-hexamethyl-N-(5-methyl-4-methylidenehex-5-enyl)deca-1,9-dien-2-amine
SMILESC=C(CC(C)(C)C(C)CCC(C)(C)C(=C)C)NCCCC(=C)C(=C)C
InChIInChI=1S/C24H43N/c1-18(2)20(5)13-12-16-25-22(7)17-24(10,11)21(6)14-15-23(8,9)19(3)4/h21,25H,1,3,5,7,12-17H2,2,4,6,8-11H3
InChIKeyQIAPJKKHGMXWQH-UHFFFAOYSA-N
XLogP7.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.62
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,8,8,9-hexamethyl-N-(5-methyl-4-methylidenehex-5-enyl)deca-1,9-dien-2-amine?
The IUPAC name of 4,4,5,8,8,9-hexamethyl-N-(5-methyl-4-methylidenehex-5-enyl)deca-1,9-dien-2-amine (CID 139502968) is 4,4,5,8,8,9-hexamethyl-N-(5-methyl-4-methylidenehex-5-enyl)deca-1,9-dien-2-amine.
What is the SMILES notation for 4,4,5,8,8,9-hexamethyl-N-(5-methyl-4-methylidenehex-5-enyl)deca-1,9-dien-2-amine?
The canonical SMILES for 4,4,5,8,8,9-hexamethyl-N-(5-methyl-4-methylidenehex-5-enyl)deca-1,9-dien-2-amine is C=C(CC(C)(C)C(C)CCC(C)(C)C(=C)C)NCCCC(=C)C(=C)C.
What is the InChIKey of 4,4,5,8,8,9-hexamethyl-N-(5-methyl-4-methylidenehex-5-enyl)deca-1,9-dien-2-amine?
The InChIKey is QIAPJKKHGMXWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N/c1-18(2)20(5)13-12-16-25-22(7)17-24(10,11)21(6)14-15-23(8,9)19(3)4/h21,25H,1,3,5,7,12-17H2,2,4,6,8-11H3.
What are the key properties of 4,4,5,8,8,9-hexamethyl-N-(5-methyl-4-methylidenehex-5-enyl)deca-1,9-dien-2-amine?
4,4,5,8,8,9-hexamethyl-N-(5-methyl-4-methylidenehex-5-enyl)deca-1,9-dien-2-amine has a molecular weight of 345.62 g/mol, XLogP of 7.44, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,8,8,9-hexamethyl-N-(5-methyl-4-methylidenehex-5-enyl)deca-1,9-dien-2-amine is sourced from PubChem (CID 139502968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).