(Z)-5-(cyclohexylamino)-2,6-dimethylhept-3-en-3-ol

C15H29NO — CID 170694966

IUPAC(Z)-5-(cyclohexylamino)-2,6-dimethylhept-3-en-3-ol
SMILESCC(C)/C(O)=C/C(NC1CCCCC1)C(C)C
InChIInChI=1S/C15H29NO/c1-11(2)14(10-15(17)12(3)4)16-13-8-6-5-7-9-13/h10-14,16-17H,5-9H2,1-4H3/b15-10-
InChIKeyVERNPMBWFFCMEB-GDNBJRDFSA-N
MW239.40 g/mol
LogP4.03
Rot. Bonds5

About (Z)-5-(cyclohexylamino)-2,6-dimethylhept-3-en-3-ol

(Z)-5-(cyclohexylamino)-2,6-dimethylhept-3-en-3-ol (PubChem CID 170694966) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (Z)-5-(cyclohexylamino)-2,6-dimethylhept-3-en-3-ol.

Molecular Properties

Compound Name(Z)-5-(cyclohexylamino)-2,6-dimethylhept-3-en-3-ol
PubChem CID170694966
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(Z)-5-(cyclohexylamino)-2,6-dimethylhept-3-en-3-ol
SMILESCC(C)/C(O)=C/C(NC1CCCCC1)C(C)C
InChIInChI=1S/C15H29NO/c1-11(2)14(10-15(17)12(3)4)16-13-8-6-5-7-9-13/h10-14,16-17H,5-9H2,1-4H3/b15-10-
InChIKeyVERNPMBWFFCMEB-GDNBJRDFSA-N
XLogP4.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (Z)-5-(cyclohexylamino)-2,6-dimethylhept-3-en-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z,4Z,6E)-3-[(cyclohexylamino)methyl]undeca-2,4,6-trien-2-ol
CID 142528972
1-[[(1R,3Z)-3-(3-methylbutylidene)cyclohexyl]amino]propan-1-ol
CID 163541819
3-(Cyclohex-3-en-1-ylmethylamino)-2-methylbutan-2-ol
CID 65337526
3-(Cyclohex-3-en-1-ylamino)-2-methylbutan-2-ol
CID 65702501
4-(Cyclohex-3-en-1-ylamino)-2-methylbutan-2-ol
CID 79355256
3-(Cyclohex-2-en-1-ylamino)-2,3-dimethylbutan-2-ol
CID 103993456
1-(Cyclohex-2-en-1-ylamino)-2-methylpentan-2-ol
CID 106293194
3-(Cyclohex-2-en-1-ylamino)-2-methylpropan-1-ol
CID 107907092
1-(Cyclohex-2-en-1-ylamino)-2-methylpropan-2-ol
CID 107907097
1-(Cyclohex-2-en-1-ylamino)-2-methylbutan-2-ol
CID 107907099
3-[(Cyclohex-2-en-1-ylamino)methyl]pentan-3-ol
CID 107907101
4-(Cyclohex-2-en-1-ylamino)-3-methylbutan-1-ol
CID 107907219

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(cyclohexylamino)-2,6-dimethylhept-3-en-3-ol?
The IUPAC name of (Z)-5-(cyclohexylamino)-2,6-dimethylhept-3-en-3-ol (CID 170694966) is (Z)-5-(cyclohexylamino)-2,6-dimethylhept-3-en-3-ol.
What is the SMILES notation for (Z)-5-(cyclohexylamino)-2,6-dimethylhept-3-en-3-ol?
The canonical SMILES for (Z)-5-(cyclohexylamino)-2,6-dimethylhept-3-en-3-ol is CC(C)/C(O)=C/C(NC1CCCCC1)C(C)C.
What is the InChIKey of (Z)-5-(cyclohexylamino)-2,6-dimethylhept-3-en-3-ol?
The InChIKey is VERNPMBWFFCMEB-GDNBJRDFSA-N. The full InChI is InChI=1S/C15H29NO/c1-11(2)14(10-15(17)12(3)4)16-13-8-6-5-7-9-13/h10-14,16-17H,5-9H2,1-4H3/b15-10-.
What are the key properties of (Z)-5-(cyclohexylamino)-2,6-dimethylhept-3-en-3-ol?
(Z)-5-(cyclohexylamino)-2,6-dimethylhept-3-en-3-ol has a molecular weight of 239.40 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(cyclohexylamino)-2,6-dimethylhept-3-en-3-ol is sourced from PubChem (CID 170694966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).