1-[(2-prop-1-en-2-ylcyclohexyl)amino]ethanol

C11H21NO — CID 118964544

IUPAC1-[(2-prop-1-en-2-ylcyclohexyl)amino]ethanol
SMILESC=C(C)C1CCCCC1NC(C)O
InChIInChI=1S/C11H21NO/c1-8(2)10-6-4-5-7-11(10)12-9(3)13/h9-13H,1,4-7H2,2-3H3
InChIKeyNXRMMJADYUXZDR-UHFFFAOYSA-N
MW183.30 g/mol
LogP2.05
Rot. Bonds3

About 1-[(2-prop-1-en-2-ylcyclohexyl)amino]ethanol

1-[(2-prop-1-en-2-ylcyclohexyl)amino]ethanol (PubChem CID 118964544) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-[(2-prop-1-en-2-ylcyclohexyl)amino]ethanol.

Molecular Properties

Compound Name1-[(2-prop-1-en-2-ylcyclohexyl)amino]ethanol
PubChem CID118964544
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name1-[(2-prop-1-en-2-ylcyclohexyl)amino]ethanol
SMILESC=C(C)C1CCCCC1NC(C)O
InChIInChI=1S/C11H21NO/c1-8(2)10-6-4-5-7-11(10)12-9(3)13/h9-13H,1,4-7H2,2-3H3
InChIKeyNXRMMJADYUXZDR-UHFFFAOYSA-N
XLogP2.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 118281674
CID 118281674
CID 166743499
CID 166743499
CID 16754798
CID 16754798
CID 91644822
CID 91644822
CID 99619847
CID 99619847
CID 99619852
CID 99619852
CID 99619854
CID 99619854
CID 99619856
CID 99619856
CID 104934461
CID 104934461
CID 112317542
CID 112317542
CID 145266384
CID 145266384

Frequently Asked Questions

What is the IUPAC name of 1-[(2-prop-1-en-2-ylcyclohexyl)amino]ethanol?
The IUPAC name of 1-[(2-prop-1-en-2-ylcyclohexyl)amino]ethanol (CID 118964544) is 1-[(2-prop-1-en-2-ylcyclohexyl)amino]ethanol.
What is the SMILES notation for 1-[(2-prop-1-en-2-ylcyclohexyl)amino]ethanol?
The canonical SMILES for 1-[(2-prop-1-en-2-ylcyclohexyl)amino]ethanol is C=C(C)C1CCCCC1NC(C)O.
What is the InChIKey of 1-[(2-prop-1-en-2-ylcyclohexyl)amino]ethanol?
The InChIKey is NXRMMJADYUXZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)10-6-4-5-7-11(10)12-9(3)13/h9-13H,1,4-7H2,2-3H3.
What are the key properties of 1-[(2-prop-1-en-2-ylcyclohexyl)amino]ethanol?
1-[(2-prop-1-en-2-ylcyclohexyl)amino]ethanol has a molecular weight of 183.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-prop-1-en-2-ylcyclohexyl)amino]ethanol is sourced from PubChem (CID 118964544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).