1-aminoheptacos-1-en-2-ol

C27H55NO — CID 140665691

IUPAC1-aminoheptacos-1-en-2-ol
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=CN
InChIInChI=1S/C27H55NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27(29)26-28/h26,29H,2-25,28H2,1H3
InChIKeyLSYQZEDNXPNFCT-UHFFFAOYSA-N
MW409.74 g/mol
LogP9.73
Rot. Bonds24

About 1-aminoheptacos-1-en-2-ol

1-aminoheptacos-1-en-2-ol (PubChem CID 140665691) has the molecular formula C27H55NO and a molecular weight of 409.74 g/mol. Its IUPAC name is 1-aminoheptacos-1-en-2-ol.

Molecular Properties

Compound Name1-aminoheptacos-1-en-2-ol
PubChem CID140665691
Molecular FormulaC27H55NO
Molecular Weight409.74 g/mol
Exact Mass409.43
IUPAC Name1-aminoheptacos-1-en-2-ol
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=CN
InChIInChI=1S/C27H55NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27(29)26-28/h26,29H,2-25,28H2,1H3
InChIKeyLSYQZEDNXPNFCT-UHFFFAOYSA-N
XLogP9.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.74
LogP ≤ 59.73
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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Related Compounds

(Z)-pentadec-2-en-3-ol
CID 141060609
(Z)-2-hydroxyheptadec-1-ene-1-diazonium
CID 10956905
(E)-dec-1-ene-1,2-diamine
CID 87327630
octatriacont-11-en-12-ol
CID 156905019
hexatriacont-17-en-18-ol
CID 173290872
(Z)-11-hydroxynonadec-10-en-9-one
CID 58983053
(Z)-7-hydroxyhexacos-7-en-9-one
CID 122377980
4-hydroxyicos-3-enoic acid
CID 88697964
(Z)-tetradec-5-en-5-ol
CID 129379563
henicos-1-en-2-ol
CID 90735098
dec-2-en-3-amine
CID 154268798
(Z)-nonadec-2-en-3-amine
CID 139654417

Frequently Asked Questions

What is the IUPAC name of 1-aminoheptacos-1-en-2-ol?
The IUPAC name of 1-aminoheptacos-1-en-2-ol (CID 140665691) is 1-aminoheptacos-1-en-2-ol.
What is the SMILES notation for 1-aminoheptacos-1-en-2-ol?
The canonical SMILES for 1-aminoheptacos-1-en-2-ol is CCCCCCCCCCCCCCCCCCCCCCCCCC(O)=CN.
What is the InChIKey of 1-aminoheptacos-1-en-2-ol?
The InChIKey is LSYQZEDNXPNFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H55NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27(29)26-28/h26,29H,2-25,28H2,1H3.
What are the key properties of 1-aminoheptacos-1-en-2-ol?
1-aminoheptacos-1-en-2-ol has a molecular weight of 409.74 g/mol, XLogP of 9.73, 24 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoheptacos-1-en-2-ol is sourced from PubChem (CID 140665691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).