2-[[(1S)-2-methylidenecyclohexyl]amino]ethanol

C9H17NO — CID 166169518

IUPAC2-[[(1S)-2-methylidenecyclohexyl]amino]ethanol
SMILESC=C1CCCC[C@@H]1NCCO
InChIInChI=1S/C9H17NO/c1-8-4-2-3-5-9(8)10-6-7-11/h9-11H,1-7H2/t9-/m0/s1
InChIKeyIFWRFCXQPVYNRM-VIFPVBQESA-N
MW155.24 g/mol
LogP1.07
Rot. Bonds3

About 2-[[(1S)-2-methylidenecyclohexyl]amino]ethanol

2-[[(1S)-2-methylidenecyclohexyl]amino]ethanol (PubChem CID 166169518) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-[[(1S)-2-methylidenecyclohexyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(1S)-2-methylidenecyclohexyl]amino]ethanol
PubChem CID166169518
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-[[(1S)-2-methylidenecyclohexyl]amino]ethanol
SMILESC=C1CCCC[C@@H]1NCCO
InChIInChI=1S/C9H17NO/c1-8-4-2-3-5-9(8)10-6-7-11/h9-11H,1-7H2/t9-/m0/s1
InChIKeyIFWRFCXQPVYNRM-VIFPVBQESA-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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Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-2-methylidenecyclohexyl]amino]ethanol?
The IUPAC name of 2-[[(1S)-2-methylidenecyclohexyl]amino]ethanol (CID 166169518) is 2-[[(1S)-2-methylidenecyclohexyl]amino]ethanol.
What is the SMILES notation for 2-[[(1S)-2-methylidenecyclohexyl]amino]ethanol?
The canonical SMILES for 2-[[(1S)-2-methylidenecyclohexyl]amino]ethanol is C=C1CCCC[C@@H]1NCCO.
What is the InChIKey of 2-[[(1S)-2-methylidenecyclohexyl]amino]ethanol?
The InChIKey is IFWRFCXQPVYNRM-VIFPVBQESA-N. The full InChI is InChI=1S/C9H17NO/c1-8-4-2-3-5-9(8)10-6-7-11/h9-11H,1-7H2/t9-/m0/s1.
What are the key properties of 2-[[(1S)-2-methylidenecyclohexyl]amino]ethanol?
2-[[(1S)-2-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-[[(1S)-2-methylidenecyclohexyl]amino]ethanol is sourced from PubChem (CID 166169518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).