(Z,10R)-21-amino-4-propylhenicos-12-en-10-ol

C24H49NO — CID 140532013

IUPAC(Z,10R)-21-amino-4-propylhenicos-12-en-10-ol
SMILESCCCC(CCC)CCCCC[C@@H](O)C/C=C\CCCCCCCCN
InChIInChI=1S/C24H49NO/c1-3-17-23(18-4-2)19-13-12-15-21-24(26)20-14-10-8-6-5-7-9-11-16-22-25/h10,14,23-24,26H,3-9,11-13,15-22,25H2,1-2H3/b14-10-/t24-/m0/s1
InChIKeyFFXIAOTWSKYCHT-ZFVPXTALSA-N
MW367.66 g/mol
LogP7.15
Rot. Bonds20

About (Z,10R)-21-amino-4-propylhenicos-12-en-10-ol

(Z,10R)-21-amino-4-propylhenicos-12-en-10-ol (PubChem CID 140532013) has the molecular formula C24H49NO and a molecular weight of 367.66 g/mol. Its IUPAC name is (Z,10R)-21-amino-4-propylhenicos-12-en-10-ol.

Molecular Properties

Compound Name(Z,10R)-21-amino-4-propylhenicos-12-en-10-ol
PubChem CID140532013
Molecular FormulaC24H49NO
Molecular Weight367.66 g/mol
Exact Mass367.38
IUPAC Name(Z,10R)-21-amino-4-propylhenicos-12-en-10-ol
SMILESCCCC(CCC)CCCCC[C@@H](O)C/C=C\CCCCCCCCN
InChIInChI=1S/C24H49NO/c1-3-17-23(18-4-2)19-13-12-15-21-24(26)20-14-10-8-6-5-7-9-11-16-22-25/h10,14,23-24,26H,3-9,11-13,15-22,25H2,1-2H3/b14-10-/t24-/m0/s1
InChIKeyFFXIAOTWSKYCHT-ZFVPXTALSA-N
XLogP7.15
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.66
LogP ≤ 57.15
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,10R)-21-amino-4-propylhenicos-12-en-10-ol?
The IUPAC name of (Z,10R)-21-amino-4-propylhenicos-12-en-10-ol (CID 140532013) is (Z,10R)-21-amino-4-propylhenicos-12-en-10-ol.
What is the SMILES notation for (Z,10R)-21-amino-4-propylhenicos-12-en-10-ol?
The canonical SMILES for (Z,10R)-21-amino-4-propylhenicos-12-en-10-ol is CCCC(CCC)CCCCC[C@@H](O)C/C=C\CCCCCCCCN.
What is the InChIKey of (Z,10R)-21-amino-4-propylhenicos-12-en-10-ol?
The InChIKey is FFXIAOTWSKYCHT-ZFVPXTALSA-N. The full InChI is InChI=1S/C24H49NO/c1-3-17-23(18-4-2)19-13-12-15-21-24(26)20-14-10-8-6-5-7-9-11-16-22-25/h10,14,23-24,26H,3-9,11-13,15-22,25H2,1-2H3/b14-10-/t24-/m0/s1.
What are the key properties of (Z,10R)-21-amino-4-propylhenicos-12-en-10-ol?
(Z,10R)-21-amino-4-propylhenicos-12-en-10-ol has a molecular weight of 367.66 g/mol, XLogP of 7.15, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,10R)-21-amino-4-propylhenicos-12-en-10-ol is sourced from PubChem (CID 140532013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).