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

C17H31NO — CID 88662138

IUPAC(2E,6E)-9-(cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol
SMILESC/C(=C\CC/C(C)=C/CCNC1CCCCC1)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/b15-10+,16-9+
InChIKeyGCRXMENNJOTMKB-BXIATTARSA-N
MW265.44 g/mol
LogP3.96
Rot. Bonds8

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

(2E,6E)-9-(cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol (PubChem CID 88662138) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is (2E,6E)-9-(cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol.

Molecular Properties

Compound Name(2E,6E)-9-(cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol
PubChem CID88662138
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name(2E,6E)-9-(cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol
SMILESC/C(=C\CC/C(C)=C/CCNC1CCCCC1)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/b15-10+,16-9+
InChIKeyGCRXMENNJOTMKB-BXIATTARSA-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'}

Analyze (2E,6E)-9-(cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol with MolForge

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Related Compounds

(3E)-1-(cyclohexylamino)-4,8-dimethylnona-3,7-dien-1-ol
CID 20185398
(2E,6E,10E)-3,11,15-trimethyl-7-[(2-methylpropylamino)methyl]hexadeca-2,6,10,14-tetraen-1-ol
CID 20342987
3,11-Dimethyl-7-[(octylamino)methyl]dodeca-2,6,10-trien-1-ol
CID 53915964
3,11,15-Trimethyl-7-[(2-methylpropylamino)methyl]hexadeca-2,6,10,14-tetraen-1-ol
CID 54168937
2-Methyl-6-(methylamino)hept-2-en-1-ol
CID 54551357
1-(Cyclohexylamino)-4,8-dimethylnona-3,7-dien-2-ol
CID 57116955
N-(4-(2-Hydroxyethylidene)cyclohexyl)acetamide
CID 58294115
(E,5S)-2-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)hept-2-en-1-ol
CID 68213288
(2E)-1-[cyclohexyl(methyl)amino]-3,7-dimethylocta-2,6-dien-1-ol
CID 70435113
(3E)-1-(cyclohexylamino)-4,8-dimethylnona-3,7-dien-2-ol
CID 70435115
9-(Cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol
CID 70435118
(2E,6Z,10E)-3,11,15-trimethyl-7-[(2-methylpropylamino)methyl]hexadeca-2,6,10,14-tetraen-1-ol
CID 88779249

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-9-(cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol?
The IUPAC name of (2E,6E)-9-(cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol (CID 88662138) is (2E,6E)-9-(cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol.
What is the SMILES notation for (2E,6E)-9-(cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol?
The canonical SMILES for (2E,6E)-9-(cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol is C/C(=C\CC/C(C)=C/CCNC1CCCCC1)CO.
What is the InChIKey of (2E,6E)-9-(cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol?
The InChIKey is GCRXMENNJOTMKB-BXIATTARSA-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/b15-10+,16-9+.
What are the key properties of (2E,6E)-9-(cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol?
(2E,6E)-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 (2E,6E)-9-(cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol is sourced from PubChem (CID 88662138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).