1-(4-amino-3-methylcyclohex-2-en-1-yl)butan-1-ol

C11H21NO — CID 89153953

IUPAC1-(4-amino-3-methylcyclohex-2-en-1-yl)butan-1-ol
SMILESCCCC(O)C1C=C(C)C(N)CC1
InChIInChI=1S/C11H21NO/c1-3-4-11(13)9-5-6-10(12)8(2)7-9/h7,9-11,13H,3-6,12H2,1-2H3
InChIKeyDLSIYRFERHYVEY-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.83
Rot. Bonds3

About 1-(4-amino-3-methylcyclohex-2-en-1-yl)butan-1-ol

1-(4-amino-3-methylcyclohex-2-en-1-yl)butan-1-ol (PubChem CID 89153953) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(4-amino-3-methylcyclohex-2-en-1-yl)butan-1-ol.

Molecular Properties

Compound Name1-(4-amino-3-methylcyclohex-2-en-1-yl)butan-1-ol
PubChem CID89153953
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(4-amino-3-methylcyclohex-2-en-1-yl)butan-1-ol
SMILESCCCC(O)C1C=C(C)C(N)CC1
InChIInChI=1S/C11H21NO/c1-3-4-11(13)9-5-6-10(12)8(2)7-9/h7,9-11,13H,3-6,12H2,1-2H3
InChIKeyDLSIYRFERHYVEY-UHFFFAOYSA-N
XLogP1.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.83
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 1-(4-amino-3-methylcyclohex-2-en-1-yl)butan-1-ol?
The IUPAC name of 1-(4-amino-3-methylcyclohex-2-en-1-yl)butan-1-ol (CID 89153953) is 1-(4-amino-3-methylcyclohex-2-en-1-yl)butan-1-ol.
What is the SMILES notation for 1-(4-amino-3-methylcyclohex-2-en-1-yl)butan-1-ol?
The canonical SMILES for 1-(4-amino-3-methylcyclohex-2-en-1-yl)butan-1-ol is CCCC(O)C1C=C(C)C(N)CC1.
What is the InChIKey of 1-(4-amino-3-methylcyclohex-2-en-1-yl)butan-1-ol?
The InChIKey is DLSIYRFERHYVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-4-11(13)9-5-6-10(12)8(2)7-9/h7,9-11,13H,3-6,12H2,1-2H3.
What are the key properties of 1-(4-amino-3-methylcyclohex-2-en-1-yl)butan-1-ol?
1-(4-amino-3-methylcyclohex-2-en-1-yl)butan-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methylcyclohex-2-en-1-yl)butan-1-ol is sourced from PubChem (CID 89153953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).