11-amino-2-(1-aminopentyl)undec-6-en-1-ol

C16H34N2O — CID 123758137

IUPAC11-amino-2-(1-aminopentyl)undec-6-en-1-ol
SMILESCCCCC(N)C(CO)CCCC=CCCCCN
InChIInChI=1S/C16H34N2O/c1-2-3-12-16(18)15(14-19)11-9-7-5-4-6-8-10-13-17/h4-5,15-16,19H,2-3,6-14,17-18H2,1H3
InChIKeyMPYHQGSYRQWVBD-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.97
Rot. Bonds13

About 11-amino-2-(1-aminopentyl)undec-6-en-1-ol

11-amino-2-(1-aminopentyl)undec-6-en-1-ol (PubChem CID 123758137) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 11-amino-2-(1-aminopentyl)undec-6-en-1-ol.

Molecular Properties

Compound Name11-amino-2-(1-aminopentyl)undec-6-en-1-ol
PubChem CID123758137
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name11-amino-2-(1-aminopentyl)undec-6-en-1-ol
SMILESCCCCC(N)C(CO)CCCC=CCCCCN
InChIInChI=1S/C16H34N2O/c1-2-3-12-16(18)15(14-19)11-9-7-5-4-6-8-10-13-17/h4-5,15-16,19H,2-3,6-14,17-18H2,1H3
InChIKeyMPYHQGSYRQWVBD-UHFFFAOYSA-N
XLogP2.97
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 11-amino-2-(1-aminopentyl)undec-6-en-1-ol?
The IUPAC name of 11-amino-2-(1-aminopentyl)undec-6-en-1-ol (CID 123758137) is 11-amino-2-(1-aminopentyl)undec-6-en-1-ol.
What is the SMILES notation for 11-amino-2-(1-aminopentyl)undec-6-en-1-ol?
The canonical SMILES for 11-amino-2-(1-aminopentyl)undec-6-en-1-ol is CCCCC(N)C(CO)CCCC=CCCCCN.
What is the InChIKey of 11-amino-2-(1-aminopentyl)undec-6-en-1-ol?
The InChIKey is MPYHQGSYRQWVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-2-3-12-16(18)15(14-19)11-9-7-5-4-6-8-10-13-17/h4-5,15-16,19H,2-3,6-14,17-18H2,1H3.
What are the key properties of 11-amino-2-(1-aminopentyl)undec-6-en-1-ol?
11-amino-2-(1-aminopentyl)undec-6-en-1-ol has a molecular weight of 270.46 g/mol, XLogP of 2.97, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-amino-2-(1-aminopentyl)undec-6-en-1-ol is sourced from PubChem (CID 123758137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).