3-(Aminomethyl)nonadec-10-en-1-ol

C20H41NO — CID 54391773

IUPAC3-(aminomethyl)nonadec-10-en-1-ol
SMILESCCCCCCCCC=CCCCCCCC(CCO)CN
InChIInChI=1S/C20H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(19-21)17-18-22/h9-10,20,22H,2-8,11-19,21H2,1H3
InChIKeyVHCXQNCFLFLSHS-UHFFFAOYSA-N
MW311.50 g/mol
LogP6.80
Rot. Bonds17

About 3-(Aminomethyl)nonadec-10-en-1-ol

3-(Aminomethyl)nonadec-10-en-1-ol (PubChem CID 54391773) has the molecular formula C20H41NO and a molecular weight of 311.50 g/mol. Its IUPAC name is 3-(aminomethyl)nonadec-10-en-1-ol.

Molecular Properties

Compound Name3-(Aminomethyl)nonadec-10-en-1-ol
PubChem CID54391773
Molecular FormulaC20H41NO
Molecular Weight311.50 g/mol
Exact Mass311.32
IUPAC Name3-(aminomethyl)nonadec-10-en-1-ol
SMILESCCCCCCCCC=CCCCCCCC(CCO)CN
InChIInChI=1S/C20H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(19-21)17-18-22/h9-10,20,22H,2-8,11-19,21H2,1H3
InChIKeyVHCXQNCFLFLSHS-UHFFFAOYSA-N
XLogP6.80
TPSA46.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity228

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.50
LogP ≤ 56.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-(17-Aminoheptadec-8-enyl)pentane-1,5-diol
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2-[[2-(Hydroxymethyl)octadec-9-enylamino]methyl]octadec-9-en-1-ol
CID 54274440
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CID 54290066
2-Amino-3-ethyl-2-icos-11-en-3-ylicos-11-en-1-ol
CID 57032364
3-Amino-4-hexadec-7-enylhexane-1,6-diol
CID 57070237
(E,6S,7R)-6-amino-3-methyldocos-8-en-7-ol
CID 59013493
1-Amino-5-cyclohex-2-en-1-yl-4,6-dimethylheptan-1-ol
CID 67554809
(Z)-1-amino-5-cyclohex-2-en-1-yl-4,6-dimethyloct-6-en-1-ol
CID 67554986
3-Amino-3-cyclohex-2-en-1-ylpropan-1-ol
CID 68852884

Frequently Asked Questions

What is the IUPAC name of 3-(Aminomethyl)nonadec-10-en-1-ol?
The IUPAC name of 3-(Aminomethyl)nonadec-10-en-1-ol (CID 54391773) is 3-(aminomethyl)nonadec-10-en-1-ol.
What is the SMILES notation for 3-(Aminomethyl)nonadec-10-en-1-ol?
The canonical SMILES for 3-(Aminomethyl)nonadec-10-en-1-ol is CCCCCCCCC=CCCCCCCC(CCO)CN.
What is the InChIKey of 3-(Aminomethyl)nonadec-10-en-1-ol?
The InChIKey is VHCXQNCFLFLSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(19-21)17-18-22/h9-10,20,22H,2-8,11-19,21H2,1H3.
What are the key properties of 3-(Aminomethyl)nonadec-10-en-1-ol?
3-(Aminomethyl)nonadec-10-en-1-ol has a molecular weight of 311.50 g/mol, XLogP of 6.80, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(Aminomethyl)nonadec-10-en-1-ol is sourced from PubChem (CID 54391773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).