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

C12H23NO — CID 79360099

IUPAC4-(cyclohex-3-en-1-ylmethylamino)-2-methylbutan-2-ol
SMILESCC(C)(O)CCNCC1CC=CCC1
InChIInChI=1S/C12H23NO/c1-12(2,14)8-9-13-10-11-6-4-3-5-7-11/h3-4,11,13-14H,5-10H2,1-2H3
InChIKeyOQCXKSRXGCMGSO-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.09
Rot. Bonds5

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

4-(cyclohex-3-en-1-ylmethylamino)-2-methylbutan-2-ol (PubChem CID 79360099) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-(cyclohex-3-en-1-ylmethylamino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(cyclohex-3-en-1-ylmethylamino)-2-methylbutan-2-ol
PubChem CID79360099
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-(cyclohex-3-en-1-ylmethylamino)-2-methylbutan-2-ol
SMILESCC(C)(O)CCNCC1CC=CCC1
InChIInChI=1S/C12H23NO/c1-12(2,14)8-9-13-10-11-6-4-3-5-7-11/h3-4,11,13-14H,5-10H2,1-2H3
InChIKeyOQCXKSRXGCMGSO-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-ylmethylamino)-2-methylbutan-2-ol?
The IUPAC name of 4-(cyclohex-3-en-1-ylmethylamino)-2-methylbutan-2-ol (CID 79360099) is 4-(cyclohex-3-en-1-ylmethylamino)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(cyclohex-3-en-1-ylmethylamino)-2-methylbutan-2-ol?
The canonical SMILES for 4-(cyclohex-3-en-1-ylmethylamino)-2-methylbutan-2-ol is CC(C)(O)CCNCC1CC=CCC1.
What is the InChIKey of 4-(cyclohex-3-en-1-ylmethylamino)-2-methylbutan-2-ol?
The InChIKey is OQCXKSRXGCMGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(2,14)8-9-13-10-11-6-4-3-5-7-11/h3-4,11,13-14H,5-10H2,1-2H3.
What are the key properties of 4-(cyclohex-3-en-1-ylmethylamino)-2-methylbutan-2-ol?
4-(cyclohex-3-en-1-ylmethylamino)-2-methylbutan-2-ol has a molecular weight of 197.32 g/mol, XLogP of 2.09, 5 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-ylmethylamino)-2-methylbutan-2-ol is sourced from PubChem (CID 79360099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).