11-amino-2,12-dimethyl-2-propylpentadecan-1-ol

C20H43NO — CID 12941766

IUPAC11-amino-2,12-dimethyl-2-propylpentadecan-1-ol
SMILESCCCC(C)C(N)CCCCCCCCC(C)(CO)CCC
InChIInChI=1S/C20H43NO/c1-5-13-18(3)19(21)14-11-9-7-8-10-12-16-20(4,17-22)15-6-2/h18-19,22H,5-17,21H2,1-4H3
InChIKeyCNESSQZYZZWNDC-UHFFFAOYSA-N
MW313.57 g/mol
LogP5.67
Rot. Bonds15

About 11-amino-2,12-dimethyl-2-propylpentadecan-1-ol

11-amino-2,12-dimethyl-2-propylpentadecan-1-ol (PubChem CID 12941766) has the molecular formula C20H43NO and a molecular weight of 313.57 g/mol. Its IUPAC name is 11-amino-2,12-dimethyl-2-propylpentadecan-1-ol.

Molecular Properties

Compound Name11-amino-2,12-dimethyl-2-propylpentadecan-1-ol
PubChem CID12941766
Molecular FormulaC20H43NO
Molecular Weight313.57 g/mol
Exact Mass313.33
IUPAC Name11-amino-2,12-dimethyl-2-propylpentadecan-1-ol
SMILESCCCC(C)C(N)CCCCCCCCC(C)(CO)CCC
InChIInChI=1S/C20H43NO/c1-5-13-18(3)19(21)14-11-9-7-8-10-12-16-20(4,17-22)15-6-2/h18-19,22H,5-17,21H2,1-4H3
InChIKeyCNESSQZYZZWNDC-UHFFFAOYSA-N
XLogP5.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.57
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-amino-2,12-dimethyl-2-propylpentadecan-1-ol?
The IUPAC name of 11-amino-2,12-dimethyl-2-propylpentadecan-1-ol (CID 12941766) is 11-amino-2,12-dimethyl-2-propylpentadecan-1-ol.
What is the SMILES notation for 11-amino-2,12-dimethyl-2-propylpentadecan-1-ol?
The canonical SMILES for 11-amino-2,12-dimethyl-2-propylpentadecan-1-ol is CCCC(C)C(N)CCCCCCCCC(C)(CO)CCC.
What is the InChIKey of 11-amino-2,12-dimethyl-2-propylpentadecan-1-ol?
The InChIKey is CNESSQZYZZWNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43NO/c1-5-13-18(3)19(21)14-11-9-7-8-10-12-16-20(4,17-22)15-6-2/h18-19,22H,5-17,21H2,1-4H3.
What are the key properties of 11-amino-2,12-dimethyl-2-propylpentadecan-1-ol?
11-amino-2,12-dimethyl-2-propylpentadecan-1-ol has a molecular weight of 313.57 g/mol, XLogP of 5.67, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-amino-2,12-dimethyl-2-propylpentadecan-1-ol is sourced from PubChem (CID 12941766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).