2-[[(1S)-2-methylidenecyclohexyl]amino]ethanol;(3Z)-penta-1,3-diene

C14H25NO — CID 166169517

IUPAC2-[[(1S)-2-methylidenecyclohexyl]amino]ethanol;(3Z)-penta-1,3-diene
SMILESC=C/C=C\C.C=C1CCCC[C@@H]1NCCO
InChIInChI=1S/C9H17NO.C5H8/c1-8-4-2-3-5-9(8)10-6-7-11;1-3-5-4-2/h9-11H,1-7H2;3-5H,1H2,2H3/b;5-4-/t9-;/m0./s1
InChIKeyOSFSHPIYSMHDII-YTKDWHBISA-N
MW223.36 g/mol
LogP2.82
Rot. Bonds4

About 2-[[(1S)-2-methylidenecyclohexyl]amino]ethanol;(3Z)-penta-1,3-diene

2-[[(1S)-2-methylidenecyclohexyl]amino]ethanol;(3Z)-penta-1,3-diene (PubChem CID 166169517) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-[[(1S)-2-methylidenecyclohexyl]amino]ethanol;(3Z)-penta-1,3-diene.

Molecular Properties

Compound Name2-[[(1S)-2-methylidenecyclohexyl]amino]ethanol;(3Z)-penta-1,3-diene
PubChem CID166169517
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-[[(1S)-2-methylidenecyclohexyl]amino]ethanol;(3Z)-penta-1,3-diene
SMILESC=C/C=C\C.C=C1CCCC[C@@H]1NCCO
InChIInChI=1S/C9H17NO.C5H8/c1-8-4-2-3-5-9(8)10-6-7-11;1-3-5-4-2/h9-11H,1-7H2;3-5H,1H2,2H3/b;5-4-/t9-;/m0./s1
InChIKeyOSFSHPIYSMHDII-YTKDWHBISA-N
XLogP2.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-Fluoro-4-methylidenecyclohexyl)amino]ethanol
CID 91362320
2-(Cyclohex-2-en-1-ylamino)ethanol
CID 18315970
2-[(4-Methylidenecyclohexyl)amino]ethanol
CID 58902764
2-[(3-Methylcyclohexa-2,4-dien-1-yl)amino]ethanol
CID 88992217
2-(2-Ethenylpenta-2,4-dienylamino)cyclohexan-1-ol
CID 123427462
3-Cyclohexa-1,5-dien-1-yl-2-(propan-2-ylamino)propan-1-ol
CID 126517364
2-[[(1S)-1-cyclohexa-1,5-dien-1-ylethyl]amino]-2-methylpropan-1-ol
CID 126537762
2-[[(3E,5Z)-3-methylocta-3,5-dien-2-yl]amino]ethanol
CID 138703240
[4,5-Bis(ethenyl)-1,2,3,6-tetrahydropyridin-2-yl]methanol;ethane
CID 141976469
[4,5-Bis(ethenyl)-1,2,3,6-tetrahydropyridin-2-yl]methanol;ethane
CID 142031618
2-[Ethyl-[2-[2-(ethylamino)cyclohexa-1,3-dien-1-yl]ethyl]amino]ethanol
CID 143063461
ethane;2-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]cyclohexan-1-ol
CID 143456441

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-2-methylidenecyclohexyl]amino]ethanol;(3Z)-penta-1,3-diene?
The IUPAC name of 2-[[(1S)-2-methylidenecyclohexyl]amino]ethanol;(3Z)-penta-1,3-diene (CID 166169517) is 2-[[(1S)-2-methylidenecyclohexyl]amino]ethanol;(3Z)-penta-1,3-diene.
What is the SMILES notation for 2-[[(1S)-2-methylidenecyclohexyl]amino]ethanol;(3Z)-penta-1,3-diene?
The canonical SMILES for 2-[[(1S)-2-methylidenecyclohexyl]amino]ethanol;(3Z)-penta-1,3-diene is C=C/C=C\C.C=C1CCCC[C@@H]1NCCO.
What is the InChIKey of 2-[[(1S)-2-methylidenecyclohexyl]amino]ethanol;(3Z)-penta-1,3-diene?
The InChIKey is OSFSHPIYSMHDII-YTKDWHBISA-N. The full InChI is InChI=1S/C9H17NO.C5H8/c1-8-4-2-3-5-9(8)10-6-7-11;1-3-5-4-2/h9-11H,1-7H2;3-5H,1H2,2H3/b;5-4-/t9-;/m0./s1.
What are the key properties of 2-[[(1S)-2-methylidenecyclohexyl]amino]ethanol;(3Z)-penta-1,3-diene?
2-[[(1S)-2-methylidenecyclohexyl]amino]ethanol;(3Z)-penta-1,3-diene has a molecular weight of 223.36 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-2-methylidenecyclohexyl]amino]ethanol;(3Z)-penta-1,3-diene is sourced from PubChem (CID 166169517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).