17-(methylamino)heptadec-1-en-2-ol

C18H37NO — CID 134267576

IUPAC17-(methylamino)heptadec-1-en-2-ol
SMILESC=C(O)CCCCCCCCCCCCCCCNC
InChIInChI=1S/C18H37NO/c1-18(20)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-2/h19-20H,1,3-17H2,2H3
InChIKeyRBARCXNEMHRLEW-UHFFFAOYSA-N
MW283.50 g/mol
LogP5.74
Rot. Bonds16

About 17-(methylamino)heptadec-1-en-2-ol

17-(methylamino)heptadec-1-en-2-ol (PubChem CID 134267576) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 17-(methylamino)heptadec-1-en-2-ol.

Molecular Properties

Compound Name17-(methylamino)heptadec-1-en-2-ol
PubChem CID134267576
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name17-(methylamino)heptadec-1-en-2-ol
SMILESC=C(O)CCCCCCCCCCCCCCCNC
InChIInChI=1S/C18H37NO/c1-18(20)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-2/h19-20H,1,3-17H2,2H3
InChIKeyRBARCXNEMHRLEW-UHFFFAOYSA-N
XLogP5.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 55.74
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of 17-(methylamino)heptadec-1-en-2-ol?
The IUPAC name of 17-(methylamino)heptadec-1-en-2-ol (CID 134267576) is 17-(methylamino)heptadec-1-en-2-ol.
What is the SMILES notation for 17-(methylamino)heptadec-1-en-2-ol?
The canonical SMILES for 17-(methylamino)heptadec-1-en-2-ol is C=C(O)CCCCCCCCCCCCCCCNC.
What is the InChIKey of 17-(methylamino)heptadec-1-en-2-ol?
The InChIKey is RBARCXNEMHRLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-18(20)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-2/h19-20H,1,3-17H2,2H3.
What are the key properties of 17-(methylamino)heptadec-1-en-2-ol?
17-(methylamino)heptadec-1-en-2-ol has a molecular weight of 283.50 g/mol, XLogP of 5.74, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(methylamino)heptadec-1-en-2-ol is sourced from PubChem (CID 134267576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).