(Z,7R)-18-amino-18-propylhenicos-9-en-7-ol

C24H49NO — CID 87396169

IUPAC(Z,7R)-18-amino-18-propylhenicos-9-en-7-ol
SMILESCCCCCC[C@@H](O)C/C=C\CCCCCCCC(N)(CCC)CCC
InChIInChI=1S/C24H49NO/c1-4-7-8-15-18-23(26)19-16-13-11-9-10-12-14-17-22-24(25,20-5-2)21-6-3/h13,16,23,26H,4-12,14-15,17-22,25H2,1-3H3/b16-13-/t23-/m1/s1
InChIKeyBHAKRBREZOCKTD-AONZOJHOSA-N
MW367.66 g/mol
LogP7.29
Rot. Bonds19

About (Z,7R)-18-amino-18-propylhenicos-9-en-7-ol

(Z,7R)-18-amino-18-propylhenicos-9-en-7-ol (PubChem CID 87396169) has the molecular formula C24H49NO and a molecular weight of 367.66 g/mol. Its IUPAC name is (Z,7R)-18-amino-18-propylhenicos-9-en-7-ol.

Molecular Properties

Compound Name(Z,7R)-18-amino-18-propylhenicos-9-en-7-ol
PubChem CID87396169
Molecular FormulaC24H49NO
Molecular Weight367.66 g/mol
Exact Mass367.38
IUPAC Name(Z,7R)-18-amino-18-propylhenicos-9-en-7-ol
SMILESCCCCCC[C@@H](O)C/C=C\CCCCCCCC(N)(CCC)CCC
InChIInChI=1S/C24H49NO/c1-4-7-8-15-18-23(26)19-16-13-11-9-10-12-14-17-22-24(25,20-5-2)21-6-3/h13,16,23,26H,4-12,14-15,17-22,25H2,1-3H3/b16-13-/t23-/m1/s1
InChIKeyBHAKRBREZOCKTD-AONZOJHOSA-N
XLogP7.29
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.66
LogP ≤ 57.29
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,7R)-18-amino-18-propylhenicos-9-en-7-ol?
The IUPAC name of (Z,7R)-18-amino-18-propylhenicos-9-en-7-ol (CID 87396169) is (Z,7R)-18-amino-18-propylhenicos-9-en-7-ol.
What is the SMILES notation for (Z,7R)-18-amino-18-propylhenicos-9-en-7-ol?
The canonical SMILES for (Z,7R)-18-amino-18-propylhenicos-9-en-7-ol is CCCCCC[C@@H](O)C/C=C\CCCCCCCC(N)(CCC)CCC.
What is the InChIKey of (Z,7R)-18-amino-18-propylhenicos-9-en-7-ol?
The InChIKey is BHAKRBREZOCKTD-AONZOJHOSA-N. The full InChI is InChI=1S/C24H49NO/c1-4-7-8-15-18-23(26)19-16-13-11-9-10-12-14-17-22-24(25,20-5-2)21-6-3/h13,16,23,26H,4-12,14-15,17-22,25H2,1-3H3/b16-13-/t23-/m1/s1.
What are the key properties of (Z,7R)-18-amino-18-propylhenicos-9-en-7-ol?
(Z,7R)-18-amino-18-propylhenicos-9-en-7-ol has a molecular weight of 367.66 g/mol, XLogP of 7.29, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,7R)-18-amino-18-propylhenicos-9-en-7-ol is sourced from PubChem (CID 87396169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).