2-[(4-methylidenecyclohexyl)amino]ethanol

C9H17NO — CID 58902764

IUPAC2-[(4-methylidenecyclohexyl)amino]ethanol
SMILESC=C1CCC(NCCO)CC1
InChIInChI=1S/C9H17NO/c1-8-2-4-9(5-3-8)10-6-7-11/h9-11H,1-7H2
InChIKeyLNBMDAZDRULZTR-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.07
Rot. Bonds3

About 2-[(4-methylidenecyclohexyl)amino]ethanol

2-[(4-methylidenecyclohexyl)amino]ethanol (PubChem CID 58902764) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-[(4-methylidenecyclohexyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-methylidenecyclohexyl)amino]ethanol
PubChem CID58902764
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-[(4-methylidenecyclohexyl)amino]ethanol
SMILESC=C1CCC(NCCO)CC1
InChIInChI=1S/C9H17NO/c1-8-2-4-9(5-3-8)10-6-7-11/h9-11H,1-7H2
InChIKeyLNBMDAZDRULZTR-UHFFFAOYSA-N
XLogP1.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-Fluoro-4-methylidenecyclohexyl)amino]ethanol
CID 91362320
N-(2-methoxyethyl)-4-methylidenecyclohexan-1-amine
CID 58902699
2-[[(1S)-2-methylidenecyclohexyl]amino]ethanol;(3Z)-penta-1,3-diene
CID 166169517
Ethane;2-[(4-methylcyclohex-3-en-1-yl)amino]ethanol
CID 177317142
2-[Cyclohexyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol
CID 103069994
2-[Cyclohexyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol
CID 103069995
2-(Hept-6-enylamino)propan-1-ol
CID 107006572
2-[Cyclohexyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol
CID 113771535
(2S)-2-[(4-methylcyclohex-3-en-1-yl)amino]propan-1-ol
CID 130686197
(2R)-2-(cyclohexylamino)but-3-en-1-ol
CID 132534038
(2S)-2-(cyclohexylamino)but-3-en-1-ol
CID 132534039
2-[[(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidenecyclohexyl]amino]ethanol
CID 143537795

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylidenecyclohexyl)amino]ethanol?
The IUPAC name of 2-[(4-methylidenecyclohexyl)amino]ethanol (CID 58902764) is 2-[(4-methylidenecyclohexyl)amino]ethanol.
What is the SMILES notation for 2-[(4-methylidenecyclohexyl)amino]ethanol?
The canonical SMILES for 2-[(4-methylidenecyclohexyl)amino]ethanol is C=C1CCC(NCCO)CC1.
What is the InChIKey of 2-[(4-methylidenecyclohexyl)amino]ethanol?
The InChIKey is LNBMDAZDRULZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8-2-4-9(5-3-8)10-6-7-11/h9-11H,1-7H2.
What are the key properties of 2-[(4-methylidenecyclohexyl)amino]ethanol?
2-[(4-methylidenecyclohexyl)amino]ethanol has a molecular weight of 155.24 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylidenecyclohexyl)amino]ethanol is sourced from PubChem (CID 58902764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).