acetylene;1,4-dimethylcyclohexane;1-ethylazetidin-3-ol

C15H29NO — CID 166536916

IUPACacetylene;1,4-dimethylcyclohexane;1-ethylazetidin-3-ol
SMILESC#C.CC1CCC(C)CC1.CCN1CC(O)C1
InChIInChI=1S/C8H16.C5H11NO.C2H2/c1-7-3-5-8(2)6-4-7;1-2-6-3-5(7)4-6;1-2/h7-8H,3-6H2,1-2H3;5,7H,2-4H2,1H3;1-2H
InChIKeyCYJIHMVQYGYFCX-UHFFFAOYSA-N
MW239.40 g/mol
LogP2.76
Rot. Bonds1

About acetylene;1,4-dimethylcyclohexane;1-ethylazetidin-3-ol

acetylene;1,4-dimethylcyclohexane;1-ethylazetidin-3-ol (PubChem CID 166536916) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is acetylene;1,4-dimethylcyclohexane;1-ethylazetidin-3-ol.

Molecular Properties

Compound Nameacetylene;1,4-dimethylcyclohexane;1-ethylazetidin-3-ol
PubChem CID166536916
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Nameacetylene;1,4-dimethylcyclohexane;1-ethylazetidin-3-ol
SMILESC#C.CC1CCC(C)CC1.CCN1CC(O)C1
InChIInChI=1S/C8H16.C5H11NO.C2H2/c1-7-3-5-8(2)6-4-7;1-2-6-3-5(7)4-6;1-2/h7-8H,3-6H2,1-2H3;5,7H,2-4H2,1H3;1-2H
InChIKeyCYJIHMVQYGYFCX-UHFFFAOYSA-N
XLogP2.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze acetylene;1,4-dimethylcyclohexane;1-ethylazetidin-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

1-ethylazetidin-3-ol;hydrochloride
CID 57415896
(3S,5S)-1-ethyl-5-methylpiperidin-3-ol
CID 1415650
(3R,5S)-1-ethylpiperidine-3,5-diol
CID 96570686
1-ethylpyrrolidin-3-ol;hydrochloride
CID 174666123
2-ethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 130987265
1-ethyl-6-methylazepan-4-ol
CID 166157584
(3R)-1-ethyl-3,4-dimethylpyrrolidine
CID 144761230
3-but-1-en-2-yl-1-ethyl-6-methylazepane
CID 167137388
ethane;1-ethyl-4-methylpiperidine
CID 143737046
benzene;1-ethyl-3-methylazetidine
CID 178088401
1-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-3-ol
CID 131963195
4-methylcyclohexan-1-ol
CID 11524

Frequently Asked Questions

What is the IUPAC name of acetylene;1,4-dimethylcyclohexane;1-ethylazetidin-3-ol?
The IUPAC name of acetylene;1,4-dimethylcyclohexane;1-ethylazetidin-3-ol (CID 166536916) is acetylene;1,4-dimethylcyclohexane;1-ethylazetidin-3-ol.
What is the SMILES notation for acetylene;1,4-dimethylcyclohexane;1-ethylazetidin-3-ol?
The canonical SMILES for acetylene;1,4-dimethylcyclohexane;1-ethylazetidin-3-ol is C#C.CC1CCC(C)CC1.CCN1CC(O)C1.
What is the InChIKey of acetylene;1,4-dimethylcyclohexane;1-ethylazetidin-3-ol?
The InChIKey is CYJIHMVQYGYFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C5H11NO.C2H2/c1-7-3-5-8(2)6-4-7;1-2-6-3-5(7)4-6;1-2/h7-8H,3-6H2,1-2H3;5,7H,2-4H2,1H3;1-2H.
What are the key properties of acetylene;1,4-dimethylcyclohexane;1-ethylazetidin-3-ol?
acetylene;1,4-dimethylcyclohexane;1-ethylazetidin-3-ol has a molecular weight of 239.40 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;1,4-dimethylcyclohexane;1-ethylazetidin-3-ol is sourced from PubChem (CID 166536916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).