N-(4-methylpent-4-enyl)tricos-1-en-2-amine

C29H57N — CID 129262875

IUPACN-(4-methylpent-4-enyl)tricos-1-en-2-amine
SMILESC=C(C)CCCNC(=C)CCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C29H57N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-29(4)30-27-24-25-28(2)3/h30H,2,4-27H2,1,3H3
InChIKeyTYOADSDUFAAPNV-UHFFFAOYSA-N
MW419.78 g/mol
LogP10.27
Rot. Bonds25

About N-(4-methylpent-4-enyl)tricos-1-en-2-amine

N-(4-methylpent-4-enyl)tricos-1-en-2-amine (PubChem CID 129262875) has the molecular formula C29H57N and a molecular weight of 419.78 g/mol. Its IUPAC name is N-(4-methylpent-4-enyl)tricos-1-en-2-amine.

Molecular Properties

Compound NameN-(4-methylpent-4-enyl)tricos-1-en-2-amine
PubChem CID129262875
Molecular FormulaC29H57N
Molecular Weight419.78 g/mol
Exact Mass419.45
IUPAC NameN-(4-methylpent-4-enyl)tricos-1-en-2-amine
SMILESC=C(C)CCCNC(=C)CCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C29H57N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-29(4)30-27-24-25-28(2)3/h30H,2,4-27H2,1,3H3
InChIKeyTYOADSDUFAAPNV-UHFFFAOYSA-N
XLogP10.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.78
LogP ≤ 510.27
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 N-(4-methylpent-4-enyl)tricos-1-en-2-amine?
The IUPAC name of N-(4-methylpent-4-enyl)tricos-1-en-2-amine (CID 129262875) is N-(4-methylpent-4-enyl)tricos-1-en-2-amine.
What is the SMILES notation for N-(4-methylpent-4-enyl)tricos-1-en-2-amine?
The canonical SMILES for N-(4-methylpent-4-enyl)tricos-1-en-2-amine is C=C(C)CCCNC(=C)CCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of N-(4-methylpent-4-enyl)tricos-1-en-2-amine?
The InChIKey is TYOADSDUFAAPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H57N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-29(4)30-27-24-25-28(2)3/h30H,2,4-27H2,1,3H3.
What are the key properties of N-(4-methylpent-4-enyl)tricos-1-en-2-amine?
N-(4-methylpent-4-enyl)tricos-1-en-2-amine has a molecular weight of 419.78 g/mol, XLogP of 10.27, 25 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpent-4-enyl)tricos-1-en-2-amine is sourced from PubChem (CID 129262875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).