(7R)-18-amino-18-methylnonadec-9-en-7-ol

C20H41NO — CID 91079816

IUPAC(7R)-18-amino-18-methylnonadec-9-en-7-ol
SMILESCCCCCC[C@@H](O)CC=CCCCCCCCC(C)(C)N
InChIInChI=1S/C20H41NO/c1-4-5-6-13-16-19(22)17-14-11-9-7-8-10-12-15-18-20(2,3)21/h11,14,19,22H,4-10,12-13,15-18,21H2,1-3H3/t19-/m1/s1
InChIKeySANDDVQZBWMFMG-LJQANCHMSA-N
MW311.55 g/mol
LogP5.73
Rot. Bonds15

About (7R)-18-amino-18-methylnonadec-9-en-7-ol

(7R)-18-amino-18-methylnonadec-9-en-7-ol (PubChem CID 91079816) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is (7R)-18-amino-18-methylnonadec-9-en-7-ol.

Molecular Properties

Compound Name(7R)-18-amino-18-methylnonadec-9-en-7-ol
PubChem CID91079816
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC Name(7R)-18-amino-18-methylnonadec-9-en-7-ol
SMILESCCCCCC[C@@H](O)CC=CCCCCCCCC(C)(C)N
InChIInChI=1S/C20H41NO/c1-4-5-6-13-16-19(22)17-14-11-9-7-8-10-12-15-18-20(2,3)21/h11,14,19,22H,4-10,12-13,15-18,21H2,1-3H3/t19-/m1/s1
InChIKeySANDDVQZBWMFMG-LJQANCHMSA-N
XLogP5.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 55.73
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

(7R)-18-amino-18-butyldocos-9-en-7-ol
CID 90750156
(7R)-18-amino-18-propylhenicos-9-en-7-ol
CID 91483131
(Z)-octadec-10-en-8-ol
CID 173051806
(Z)-pentadec-8-en-6-ol
CID 10398809
(E,10S)-henicos-7-en-10-ol
CID 14607531
(E)-heptadec-7-en-5-ol
CID 122442571
(Z)-tridec-8-en-6-ol
CID 170849340
(E)-12-hydroxyoctadec-9-enal
CID 87273358
octacos-21-en-10-ol
CID 163011476
(7R,9Z,26Z,29R)-7,29-dihydroxypentatriaconta-9,26-dien-18-one
CID 166138272
ethyl (12R)-2,12-dihydroxyoctadec-9-enoate
CID 91253906
(Z)-7-hydroxyoctadec-9-enoic acid
CID 101326222

Frequently Asked Questions

What is the IUPAC name of (7R)-18-amino-18-methylnonadec-9-en-7-ol?
The IUPAC name of (7R)-18-amino-18-methylnonadec-9-en-7-ol (CID 91079816) is (7R)-18-amino-18-methylnonadec-9-en-7-ol.
What is the SMILES notation for (7R)-18-amino-18-methylnonadec-9-en-7-ol?
The canonical SMILES for (7R)-18-amino-18-methylnonadec-9-en-7-ol is CCCCCC[C@@H](O)CC=CCCCCCCCC(C)(C)N.
What is the InChIKey of (7R)-18-amino-18-methylnonadec-9-en-7-ol?
The InChIKey is SANDDVQZBWMFMG-LJQANCHMSA-N. The full InChI is InChI=1S/C20H41NO/c1-4-5-6-13-16-19(22)17-14-11-9-7-8-10-12-15-18-20(2,3)21/h11,14,19,22H,4-10,12-13,15-18,21H2,1-3H3/t19-/m1/s1.
What are the key properties of (7R)-18-amino-18-methylnonadec-9-en-7-ol?
(7R)-18-amino-18-methylnonadec-9-en-7-ol has a molecular weight of 311.55 g/mol, XLogP of 5.73, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-18-amino-18-methylnonadec-9-en-7-ol is sourced from PubChem (CID 91079816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).