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

C26H53NO — CID 90750156

IUPAC(7R)-18-amino-18-butyldocos-9-en-7-ol
SMILESCCCCCC[C@@H](O)CC=CCCCCCCCC(N)(CCCC)CCCC
InChIInChI=1S/C26H53NO/c1-4-7-10-17-20-25(28)21-18-15-13-11-12-14-16-19-24-26(27,22-8-5-2)23-9-6-3/h15,18,25,28H,4-14,16-17,19-24,27H2,1-3H3/t25-/m1/s1
InChIKeyPCNAEYMIKYNKBT-RUZDIDTESA-N
MW395.72 g/mol
LogP8.07
Rot. Bonds21

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

(7R)-18-amino-18-butyldocos-9-en-7-ol (PubChem CID 90750156) has the molecular formula C26H53NO and a molecular weight of 395.72 g/mol. Its IUPAC name is (7R)-18-amino-18-butyldocos-9-en-7-ol.

Molecular Properties

Compound Name(7R)-18-amino-18-butyldocos-9-en-7-ol
PubChem CID90750156
Molecular FormulaC26H53NO
Molecular Weight395.72 g/mol
Exact Mass395.41
IUPAC Name(7R)-18-amino-18-butyldocos-9-en-7-ol
SMILESCCCCCC[C@@H](O)CC=CCCCCCCCC(N)(CCCC)CCCC
InChIInChI=1S/C26H53NO/c1-4-7-10-17-20-25(28)21-18-15-13-11-12-14-16-19-24-26(27,22-8-5-2)23-9-6-3/h15,18,25,28H,4-14,16-17,19-24,27H2,1-3H3/t25-/m1/s1
InChIKeyPCNAEYMIKYNKBT-RUZDIDTESA-N
XLogP8.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.72
LogP ≤ 58.07
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-propylhenicos-9-en-7-ol
CID 91483131
(7R)-18-amino-18-methylnonadec-9-en-7-ol
CID 91079816
(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
(Z)-9-octylhexacos-17-en-9-amine
CID 88623837
(Z)-17-hexadecyltetratriacont-25-en-17-amine
CID 87119990
(E)-12-hydroxyoctadec-9-enal
CID 87273358
(Z)-7-hydroxyoctadec-9-enoic acid
CID 101326222
(Z)-12-hydroxyoctadec-9-enoic acid
CID 5282942

Frequently Asked Questions

What is the IUPAC name of (7R)-18-amino-18-butyldocos-9-en-7-ol?
The IUPAC name of (7R)-18-amino-18-butyldocos-9-en-7-ol (CID 90750156) is (7R)-18-amino-18-butyldocos-9-en-7-ol.
What is the SMILES notation for (7R)-18-amino-18-butyldocos-9-en-7-ol?
The canonical SMILES for (7R)-18-amino-18-butyldocos-9-en-7-ol is CCCCCC[C@@H](O)CC=CCCCCCCCC(N)(CCCC)CCCC.
What is the InChIKey of (7R)-18-amino-18-butyldocos-9-en-7-ol?
The InChIKey is PCNAEYMIKYNKBT-RUZDIDTESA-N. The full InChI is InChI=1S/C26H53NO/c1-4-7-10-17-20-25(28)21-18-15-13-11-12-14-16-19-24-26(27,22-8-5-2)23-9-6-3/h15,18,25,28H,4-14,16-17,19-24,27H2,1-3H3/t25-/m1/s1.
What are the key properties of (7R)-18-amino-18-butyldocos-9-en-7-ol?
(7R)-18-amino-18-butyldocos-9-en-7-ol has a molecular weight of 395.72 g/mol, XLogP of 8.07, 21 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-18-amino-18-butyldocos-9-en-7-ol is sourced from PubChem (CID 90750156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).