(Z)-3-(aminomethyl)nonadec-10-en-2-ol

C20H41NO — CID 88627059

IUPAC(Z)-3-(aminomethyl)nonadec-10-en-2-ol
SMILESCCCCCCCC/C=C\CCCCCCC(CN)C(C)O
InChIInChI=1S/C20H41NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(18-21)19(2)22/h10-11,19-20,22H,3-9,12-18,21H2,1-2H3/b11-10-
InChIKeyGJGSOGNUFKXCQW-KHPPLWFESA-N
MW311.55 g/mol
LogP5.59
Rot. Bonds16

About (Z)-3-(aminomethyl)nonadec-10-en-2-ol

(Z)-3-(aminomethyl)nonadec-10-en-2-ol (PubChem CID 88627059) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is (Z)-3-(aminomethyl)nonadec-10-en-2-ol.

Molecular Properties

Compound Name(Z)-3-(aminomethyl)nonadec-10-en-2-ol
PubChem CID88627059
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC Name(Z)-3-(aminomethyl)nonadec-10-en-2-ol
SMILESCCCCCCCC/C=C\CCCCCCC(CN)C(C)O
InChIInChI=1S/C20H41NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(18-21)19(2)22/h10-11,19-20,22H,3-9,12-18,21H2,1-2H3/b11-10-
InChIKeyGJGSOGNUFKXCQW-KHPPLWFESA-N
XLogP5.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 55.59
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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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(aminomethyl)nonadec-10-en-2-ol?
The IUPAC name of (Z)-3-(aminomethyl)nonadec-10-en-2-ol (CID 88627059) is (Z)-3-(aminomethyl)nonadec-10-en-2-ol.
What is the SMILES notation for (Z)-3-(aminomethyl)nonadec-10-en-2-ol?
The canonical SMILES for (Z)-3-(aminomethyl)nonadec-10-en-2-ol is CCCCCCCC/C=C\CCCCCCC(CN)C(C)O.
What is the InChIKey of (Z)-3-(aminomethyl)nonadec-10-en-2-ol?
The InChIKey is GJGSOGNUFKXCQW-KHPPLWFESA-N. The full InChI is InChI=1S/C20H41NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(18-21)19(2)22/h10-11,19-20,22H,3-9,12-18,21H2,1-2H3/b11-10-.
What are the key properties of (Z)-3-(aminomethyl)nonadec-10-en-2-ol?
(Z)-3-(aminomethyl)nonadec-10-en-2-ol has a molecular weight of 311.55 g/mol, XLogP of 5.59, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(aminomethyl)nonadec-10-en-2-ol is sourced from PubChem (CID 88627059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).