(cyclopropylamino)-(6-methylcyclohex-2-en-1-yl)methanol

C11H19NO — CID 89017600

IUPAC(cyclopropylamino)-(6-methylcyclohex-2-en-1-yl)methanol
SMILESCC1CCC=CC1C(O)NC1CC1
InChIInChI=1S/C11H19NO/c1-8-4-2-3-5-10(8)11(13)12-9-6-7-9/h3,5,8-13H,2,4,6-7H2,1H3
InChIKeyUTYZPEXRRAHLCE-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.66
Rot. Bonds3

About (cyclopropylamino)-(6-methylcyclohex-2-en-1-yl)methanol

(cyclopropylamino)-(6-methylcyclohex-2-en-1-yl)methanol (PubChem CID 89017600) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (cyclopropylamino)-(6-methylcyclohex-2-en-1-yl)methanol.

Molecular Properties

Compound Name(cyclopropylamino)-(6-methylcyclohex-2-en-1-yl)methanol
PubChem CID89017600
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(cyclopropylamino)-(6-methylcyclohex-2-en-1-yl)methanol
SMILESCC1CCC=CC1C(O)NC1CC1
InChIInChI=1S/C11H19NO/c1-8-4-2-3-5-10(8)11(13)12-9-6-7-9/h3,5,8-13H,2,4,6-7H2,1H3
InChIKeyUTYZPEXRRAHLCE-UHFFFAOYSA-N
XLogP1.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.66
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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Frequently Asked Questions

What is the IUPAC name of (cyclopropylamino)-(6-methylcyclohex-2-en-1-yl)methanol?
The IUPAC name of (cyclopropylamino)-(6-methylcyclohex-2-en-1-yl)methanol (CID 89017600) is (cyclopropylamino)-(6-methylcyclohex-2-en-1-yl)methanol.
What is the SMILES notation for (cyclopropylamino)-(6-methylcyclohex-2-en-1-yl)methanol?
The canonical SMILES for (cyclopropylamino)-(6-methylcyclohex-2-en-1-yl)methanol is CC1CCC=CC1C(O)NC1CC1.
What is the InChIKey of (cyclopropylamino)-(6-methylcyclohex-2-en-1-yl)methanol?
The InChIKey is UTYZPEXRRAHLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8-4-2-3-5-10(8)11(13)12-9-6-7-9/h3,5,8-13H,2,4,6-7H2,1H3.
What are the key properties of (cyclopropylamino)-(6-methylcyclohex-2-en-1-yl)methanol?
(cyclopropylamino)-(6-methylcyclohex-2-en-1-yl)methanol has a molecular weight of 181.28 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclopropylamino)-(6-methylcyclohex-2-en-1-yl)methanol is sourced from PubChem (CID 89017600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).