2,4-dimethyl-5-(2-methylprop-2-enyl)pentadec-1-en-4-amine

C21H41N — CID 87859057

IUPAC2,4-dimethyl-5-(2-methylprop-2-enyl)pentadec-1-en-4-amine
SMILESC=C(C)CC(CCCCCCCCCC)C(C)(N)CC(=C)C
InChIInChI=1S/C21H41N/c1-7-8-9-10-11-12-13-14-15-20(16-18(2)3)21(6,22)17-19(4)5/h20H,2,4,7-17,22H2,1,3,5-6H3
InChIKeyXRBXRIGAISVYED-UHFFFAOYSA-N
MW307.57 g/mol
LogP6.78
Rot. Bonds14

About 2,4-dimethyl-5-(2-methylprop-2-enyl)pentadec-1-en-4-amine

2,4-dimethyl-5-(2-methylprop-2-enyl)pentadec-1-en-4-amine (PubChem CID 87859057) has the molecular formula C21H41N and a molecular weight of 307.57 g/mol. Its IUPAC name is 2,4-dimethyl-5-(2-methylprop-2-enyl)pentadec-1-en-4-amine.

Molecular Properties

Compound Name2,4-dimethyl-5-(2-methylprop-2-enyl)pentadec-1-en-4-amine
PubChem CID87859057
Molecular FormulaC21H41N
Molecular Weight307.57 g/mol
Exact Mass307.32
IUPAC Name2,4-dimethyl-5-(2-methylprop-2-enyl)pentadec-1-en-4-amine
SMILESC=C(C)CC(CCCCCCCCCC)C(C)(N)CC(=C)C
InChIInChI=1S/C21H41N/c1-7-8-9-10-11-12-13-14-15-20(16-18(2)3)21(6,22)17-19(4)5/h20H,2,4,7-17,22H2,1,3,5-6H3
InChIKeyXRBXRIGAISVYED-UHFFFAOYSA-N
XLogP6.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.57
LogP ≤ 56.78
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(2-methylprop-2-enyl)pentadec-1-en-4-amine?
The IUPAC name of 2,4-dimethyl-5-(2-methylprop-2-enyl)pentadec-1-en-4-amine (CID 87859057) is 2,4-dimethyl-5-(2-methylprop-2-enyl)pentadec-1-en-4-amine.
What is the SMILES notation for 2,4-dimethyl-5-(2-methylprop-2-enyl)pentadec-1-en-4-amine?
The canonical SMILES for 2,4-dimethyl-5-(2-methylprop-2-enyl)pentadec-1-en-4-amine is C=C(C)CC(CCCCCCCCCC)C(C)(N)CC(=C)C.
What is the InChIKey of 2,4-dimethyl-5-(2-methylprop-2-enyl)pentadec-1-en-4-amine?
The InChIKey is XRBXRIGAISVYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N/c1-7-8-9-10-11-12-13-14-15-20(16-18(2)3)21(6,22)17-19(4)5/h20H,2,4,7-17,22H2,1,3,5-6H3.
What are the key properties of 2,4-dimethyl-5-(2-methylprop-2-enyl)pentadec-1-en-4-amine?
2,4-dimethyl-5-(2-methylprop-2-enyl)pentadec-1-en-4-amine has a molecular weight of 307.57 g/mol, XLogP of 6.78, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(2-methylprop-2-enyl)pentadec-1-en-4-amine is sourced from PubChem (CID 87859057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).