4-(cyclohex-3-en-1-ylamino)-2-methylbutan-2-ol

C11H21NO — CID 79355256

IUPAC4-(cyclohex-3-en-1-ylamino)-2-methylbutan-2-ol
SMILESCC(C)(O)CCNC1CC=CCC1
InChIInChI=1S/C11H21NO/c1-11(2,13)8-9-12-10-6-4-3-5-7-10/h3-4,10,12-13H,5-9H2,1-2H3
InChIKeyAVOMETRYVRIHHB-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.85
Rot. Bonds4

About 4-(cyclohex-3-en-1-ylamino)-2-methylbutan-2-ol

4-(cyclohex-3-en-1-ylamino)-2-methylbutan-2-ol (PubChem CID 79355256) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 4-(cyclohex-3-en-1-ylamino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(cyclohex-3-en-1-ylamino)-2-methylbutan-2-ol
PubChem CID79355256
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name4-(cyclohex-3-en-1-ylamino)-2-methylbutan-2-ol
SMILESCC(C)(O)CCNC1CC=CCC1
InChIInChI=1S/C11H21NO/c1-11(2,13)8-9-12-10-6-4-3-5-7-10/h3-4,10,12-13H,5-9H2,1-2H3
InChIKeyAVOMETRYVRIHHB-UHFFFAOYSA-N
XLogP1.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.85
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 4-(cyclohex-3-en-1-ylamino)-2-methylbutan-2-ol?
The IUPAC name of 4-(cyclohex-3-en-1-ylamino)-2-methylbutan-2-ol (CID 79355256) is 4-(cyclohex-3-en-1-ylamino)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(cyclohex-3-en-1-ylamino)-2-methylbutan-2-ol?
The canonical SMILES for 4-(cyclohex-3-en-1-ylamino)-2-methylbutan-2-ol is CC(C)(O)CCNC1CC=CCC1.
What is the InChIKey of 4-(cyclohex-3-en-1-ylamino)-2-methylbutan-2-ol?
The InChIKey is AVOMETRYVRIHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(2,13)8-9-12-10-6-4-3-5-7-10/h3-4,10,12-13H,5-9H2,1-2H3.
What are the key properties of 4-(cyclohex-3-en-1-ylamino)-2-methylbutan-2-ol?
4-(cyclohex-3-en-1-ylamino)-2-methylbutan-2-ol has a molecular weight of 183.30 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohex-3-en-1-ylamino)-2-methylbutan-2-ol is sourced from PubChem (CID 79355256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).