2-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methylbutan-1-ol

C13H25NO — CID 81419342

IUPAC2-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNCC1CC=CCC1
InChIInChI=1S/C13H25NO/c1-3-13(2,11-15)10-14-9-12-7-5-4-6-8-12/h4-5,12,14-15H,3,6-11H2,1-2H3
InChIKeyFWZWJFSXHNXVEQ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.34
Rot. Bonds6

About 2-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methylbutan-1-ol

2-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methylbutan-1-ol (PubChem CID 81419342) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methylbutan-1-ol
PubChem CID81419342
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNCC1CC=CCC1
InChIInChI=1S/C13H25NO/c1-3-13(2,11-15)10-14-9-12-7-5-4-6-8-12/h4-5,12,14-15H,3,6-11H2,1-2H3
InChIKeyFWZWJFSXHNXVEQ-UHFFFAOYSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.34
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-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methylbutan-1-ol (CID 81419342) is 2-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methylbutan-1-ol is CCC(C)(CO)CNCC1CC=CCC1.
What is the InChIKey of 2-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methylbutan-1-ol?
The InChIKey is FWZWJFSXHNXVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-13(2,11-15)10-14-9-12-7-5-4-6-8-12/h4-5,12,14-15H,3,6-11H2,1-2H3.
What are the key properties of 2-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methylbutan-1-ol?
2-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methylbutan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 81419342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).