3-amino-1-(3,5-dimethylcyclohex-3-en-1-yl)propan-1-ol

C11H21NO — CID 103277877

IUPAC3-amino-1-(3,5-dimethylcyclohex-3-en-1-yl)propan-1-ol
SMILESCC1=CC(C)CC(C(O)CCN)C1
InChIInChI=1S/C11H21NO/c1-8-5-9(2)7-10(6-8)11(13)3-4-12/h5,8,10-11,13H,3-4,6-7,12H2,1-2H3
InChIKeyQJBXSXHYAKPUQT-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.69
Rot. Bonds3

About 3-amino-1-(3,5-dimethylcyclohex-3-en-1-yl)propan-1-ol

3-amino-1-(3,5-dimethylcyclohex-3-en-1-yl)propan-1-ol (PubChem CID 103277877) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-amino-1-(3,5-dimethylcyclohex-3-en-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3,5-dimethylcyclohex-3-en-1-yl)propan-1-ol
PubChem CID103277877
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-amino-1-(3,5-dimethylcyclohex-3-en-1-yl)propan-1-ol
SMILESCC1=CC(C)CC(C(O)CCN)C1
InChIInChI=1S/C11H21NO/c1-8-5-9(2)7-10(6-8)11(13)3-4-12/h5,8,10-11,13H,3-4,6-7,12H2,1-2H3
InChIKeyQJBXSXHYAKPUQT-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
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 3-amino-1-(3,5-dimethylcyclohex-3-en-1-yl)propan-1-ol?
The IUPAC name of 3-amino-1-(3,5-dimethylcyclohex-3-en-1-yl)propan-1-ol (CID 103277877) is 3-amino-1-(3,5-dimethylcyclohex-3-en-1-yl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3,5-dimethylcyclohex-3-en-1-yl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3,5-dimethylcyclohex-3-en-1-yl)propan-1-ol is CC1=CC(C)CC(C(O)CCN)C1.
What is the InChIKey of 3-amino-1-(3,5-dimethylcyclohex-3-en-1-yl)propan-1-ol?
The InChIKey is QJBXSXHYAKPUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8-5-9(2)7-10(6-8)11(13)3-4-12/h5,8,10-11,13H,3-4,6-7,12H2,1-2H3.
What are the key properties of 3-amino-1-(3,5-dimethylcyclohex-3-en-1-yl)propan-1-ol?
3-amino-1-(3,5-dimethylcyclohex-3-en-1-yl)propan-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,5-dimethylcyclohex-3-en-1-yl)propan-1-ol is sourced from PubChem (CID 103277877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).