4-methyl-1-pent-4-enylazepan-4-ol

C12H23NO — CID 107408278

IUPAC4-methyl-1-pent-4-enylazepan-4-ol
SMILESC=CCCCN1CCCC(C)(O)CC1
InChIInChI=1S/C12H23NO/c1-3-4-5-9-13-10-6-7-12(2,14)8-11-13/h3,14H,1,4-11H2,2H3
InChIKeyZXPJXTUBUOMMSY-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds4

About 4-methyl-1-pent-4-enylazepan-4-ol

4-methyl-1-pent-4-enylazepan-4-ol (PubChem CID 107408278) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-methyl-1-pent-4-enylazepan-4-ol.

Molecular Properties

Compound Name4-methyl-1-pent-4-enylazepan-4-ol
PubChem CID107408278
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-methyl-1-pent-4-enylazepan-4-ol
SMILESC=CCCCN1CCCC(C)(O)CC1
InChIInChI=1S/C12H23NO/c1-3-4-5-9-13-10-6-7-12(2,14)8-11-13/h3,14H,1,4-11H2,2H3
InChIKeyZXPJXTUBUOMMSY-UHFFFAOYSA-N
XLogP2.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
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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Related Compounds

4-But-3-enyl-1-methylpiperidin-4-ol
CID 20622649
4-Prop-2-enylazepan-4-ol
CID 103982838
1-Iodo-4-(3-methylbut-2-enyl)azepan-4-ol
CID 138702374
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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-pent-4-enylazepan-4-ol?
The IUPAC name of 4-methyl-1-pent-4-enylazepan-4-ol (CID 107408278) is 4-methyl-1-pent-4-enylazepan-4-ol.
What is the SMILES notation for 4-methyl-1-pent-4-enylazepan-4-ol?
The canonical SMILES for 4-methyl-1-pent-4-enylazepan-4-ol is C=CCCCN1CCCC(C)(O)CC1.
What is the InChIKey of 4-methyl-1-pent-4-enylazepan-4-ol?
The InChIKey is ZXPJXTUBUOMMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-4-5-9-13-10-6-7-12(2,14)8-11-13/h3,14H,1,4-11H2,2H3.
What are the key properties of 4-methyl-1-pent-4-enylazepan-4-ol?
4-methyl-1-pent-4-enylazepan-4-ol has a molecular weight of 197.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-pent-4-enylazepan-4-ol is sourced from PubChem (CID 107408278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).