9-(cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol

C17H31NO — CID 70435118

IUPAC9-(cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol
SMILESCC(=CCCC(C)=CCCNC1CCCCC1)CO
InChIInChI=1S/C17H31NO/c1-15(8-6-9-16(2)14-19)10-7-13-18-17-11-4-3-5-12-17/h9-10,17-19H,3-8,11-14H2,1-2H3
InChIKeyGCRXMENNJOTMKB-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.96
Rot. Bonds8

About 9-(cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol

9-(cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol (PubChem CID 70435118) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 9-(cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol.

Molecular Properties

Compound Name9-(cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol
PubChem CID70435118
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name9-(cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol
SMILESCC(=CCCC(C)=CCCNC1CCCCC1)CO
InChIInChI=1S/C17H31NO/c1-15(8-6-9-16(2)14-19)10-7-13-18-17-11-4-3-5-12-17/h9-10,17-19H,3-8,11-14H2,1-2H3
InChIKeyGCRXMENNJOTMKB-UHFFFAOYSA-N
XLogP3.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.96
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 9-(cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol?
The IUPAC name of 9-(cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol (CID 70435118) is 9-(cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol.
What is the SMILES notation for 9-(cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol?
The canonical SMILES for 9-(cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol is CC(=CCCC(C)=CCCNC1CCCCC1)CO.
What is the InChIKey of 9-(cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol?
The InChIKey is GCRXMENNJOTMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-15(8-6-9-16(2)14-19)10-7-13-18-17-11-4-3-5-12-17/h9-10,17-19H,3-8,11-14H2,1-2H3.
What are the key properties of 9-(cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol?
9-(cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol has a molecular weight of 265.44 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol is sourced from PubChem (CID 70435118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).