4-but-3-enyl-1-methylazepan-4-ol

C11H21NO — CID 130762732

IUPAC4-but-3-enyl-1-methylazepan-4-ol
SMILESC=CCCC1(O)CCCN(C)CC1
InChIInChI=1S/C11H21NO/c1-3-4-6-11(13)7-5-9-12(2)10-8-11/h3,13H,1,4-10H2,2H3
InChIKeyRAGBIKLEAYHBLG-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds3

About 4-but-3-enyl-1-methylazepan-4-ol

4-but-3-enyl-1-methylazepan-4-ol (PubChem CID 130762732) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-but-3-enyl-1-methylazepan-4-ol.

Molecular Properties

Compound Name4-but-3-enyl-1-methylazepan-4-ol
PubChem CID130762732
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-but-3-enyl-1-methylazepan-4-ol
SMILESC=CCCC1(O)CCCN(C)CC1
InChIInChI=1S/C11H21NO/c1-3-4-6-11(13)7-5-9-12(2)10-8-11/h3,13H,1,4-10H2,2H3
InChIKeyRAGBIKLEAYHBLG-UHFFFAOYSA-N
XLogP1.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-4-(pent-4-en-1-yl)piperidin-4-ol
CID 167993486
4-But-3-enyl-1-methylpiperidin-4-ol
CID 20622649
4-(Aminomethyl)-1-but-3-enylazepan-4-ol
CID 142337773
4-Methyl-1-pent-1-en-2-ylazepan-4-ol
CID 146416735
4-Ethenyl-1-methylazepan-4-ol
CID 65416494
4-Ethenyl-1-ethylazepan-4-ol
CID 65416706
4-Ethenyl-1-propylazepan-4-ol
CID 65416707
4-Ethenyl-1-propan-2-ylazepan-4-ol
CID 65416708
4-(2-Methylprop-1-enyl)-1-propylazepan-4-ol
CID 79189481
1-Propan-2-yl-4-prop-1-en-2-ylazepan-4-ol
CID 79189482
1-Methyl-4-prop-1-en-2-ylazepan-4-ol
CID 79190908
1-Methyl-4-(2-methylprop-1-enyl)azepan-4-ol
CID 79191015

Frequently Asked Questions

What is the IUPAC name of 4-but-3-enyl-1-methylazepan-4-ol?
The IUPAC name of 4-but-3-enyl-1-methylazepan-4-ol (CID 130762732) is 4-but-3-enyl-1-methylazepan-4-ol.
What is the SMILES notation for 4-but-3-enyl-1-methylazepan-4-ol?
The canonical SMILES for 4-but-3-enyl-1-methylazepan-4-ol is C=CCCC1(O)CCCN(C)CC1.
What is the InChIKey of 4-but-3-enyl-1-methylazepan-4-ol?
The InChIKey is RAGBIKLEAYHBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-4-6-11(13)7-5-9-12(2)10-8-11/h3,13H,1,4-10H2,2H3.
What are the key properties of 4-but-3-enyl-1-methylazepan-4-ol?
4-but-3-enyl-1-methylazepan-4-ol has a molecular weight of 183.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enyl-1-methylazepan-4-ol is sourced from PubChem (CID 130762732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).