N-pent-4-enyl-4-tetradecan-7-yloxypent-4-en-1-amine

C24H47NO — CID 135181710

IUPACN-pent-4-enyl-4-tetradecan-7-yloxypent-4-en-1-amine
SMILESC=CCCCNCCCC(=C)OC(CCCCCC)CCCCCCC
InChIInChI=1S/C24H47NO/c1-5-8-11-13-15-20-24(19-14-12-9-6-2)26-23(4)18-17-22-25-21-16-10-7-3/h7,24-25H,3-6,8-22H2,1-2H3
InChIKeyIHGZZILVUVYZCU-UHFFFAOYSA-N
MW365.65 g/mol
LogP7.55
Rot. Bonds21

About N-pent-4-enyl-4-tetradecan-7-yloxypent-4-en-1-amine

N-pent-4-enyl-4-tetradecan-7-yloxypent-4-en-1-amine (PubChem CID 135181710) has the molecular formula C24H47NO and a molecular weight of 365.65 g/mol. Its IUPAC name is N-pent-4-enyl-4-tetradecan-7-yloxypent-4-en-1-amine.

Molecular Properties

Compound NameN-pent-4-enyl-4-tetradecan-7-yloxypent-4-en-1-amine
PubChem CID135181710
Molecular FormulaC24H47NO
Molecular Weight365.65 g/mol
Exact Mass365.37
IUPAC NameN-pent-4-enyl-4-tetradecan-7-yloxypent-4-en-1-amine
SMILESC=CCCCNCCCC(=C)OC(CCCCCC)CCCCCCC
InChIInChI=1S/C24H47NO/c1-5-8-11-13-15-20-24(19-14-12-9-6-2)26-23(4)18-17-22-25-21-16-10-7-3/h7,24-25H,3-6,8-22H2,1-2H3
InChIKeyIHGZZILVUVYZCU-UHFFFAOYSA-N
XLogP7.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.65
LogP ≤ 57.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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-pent-4-enyl-4-tetradecan-7-yloxypent-4-en-1-amine?
The IUPAC name of N-pent-4-enyl-4-tetradecan-7-yloxypent-4-en-1-amine (CID 135181710) is N-pent-4-enyl-4-tetradecan-7-yloxypent-4-en-1-amine.
What is the SMILES notation for N-pent-4-enyl-4-tetradecan-7-yloxypent-4-en-1-amine?
The canonical SMILES for N-pent-4-enyl-4-tetradecan-7-yloxypent-4-en-1-amine is C=CCCCNCCCC(=C)OC(CCCCCC)CCCCCCC.
What is the InChIKey of N-pent-4-enyl-4-tetradecan-7-yloxypent-4-en-1-amine?
The InChIKey is IHGZZILVUVYZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO/c1-5-8-11-13-15-20-24(19-14-12-9-6-2)26-23(4)18-17-22-25-21-16-10-7-3/h7,24-25H,3-6,8-22H2,1-2H3.
What are the key properties of N-pent-4-enyl-4-tetradecan-7-yloxypent-4-en-1-amine?
N-pent-4-enyl-4-tetradecan-7-yloxypent-4-en-1-amine has a molecular weight of 365.65 g/mol, XLogP of 7.55, 21 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-enyl-4-tetradecan-7-yloxypent-4-en-1-amine is sourced from PubChem (CID 135181710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).