1-(1-prop-2-enylazepan-2-yl)propan-2-ol

C12H23NO — CID 114338793

IUPAC1-(1-prop-2-enylazepan-2-yl)propan-2-ol
SMILESC=CCN1CCCCCC1CC(C)O
InChIInChI=1S/C12H23NO/c1-3-8-13-9-6-4-5-7-12(13)10-11(2)14/h3,11-12,14H,1,4-10H2,2H3
InChIKeyCAPBVFAWMYRJNC-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds4

About 1-(1-prop-2-enylazepan-2-yl)propan-2-ol

1-(1-prop-2-enylazepan-2-yl)propan-2-ol (PubChem CID 114338793) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(1-prop-2-enylazepan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1-prop-2-enylazepan-2-yl)propan-2-ol
PubChem CID114338793
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(1-prop-2-enylazepan-2-yl)propan-2-ol
SMILESC=CCN1CCCCCC1CC(C)O
InChIInChI=1S/C12H23NO/c1-3-8-13-9-6-4-5-7-12(13)10-11(2)14/h3,11-12,14H,1,4-10H2,2H3
InChIKeyCAPBVFAWMYRJNC-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

12-[Methyl(prop-2-enyl)amino]dodecan-2-ol
CID 53670633
1-(1-Methylazepan-2-yl)propan-2-ol
CID 114338740
1-(1-Propan-2-ylazepan-2-yl)propan-2-ol
CID 114338881
1-[1-(2,3-Dichloroprop-2-enyl)azepan-2-yl]propan-2-ol
CID 104893915
1-[1-(3-Chloro-2-methylprop-2-enyl)azepan-2-yl]propan-2-ol
CID 106440950
1-(1-Pentan-2-ylazepan-2-yl)propan-2-ol
CID 107890496
1-(1-Hept-6-enylazepan-2-yl)propan-2-ol
CID 113904783
6-[2-(2-Hydroxypropyl)azepan-1-yl]hexan-1-ol
CID 113992113
1-(1-Prop-2-enylpiperidin-2-yl)propan-2-ol
CID 114338064
1-(1-But-3-en-2-ylpiperidin-2-yl)propan-2-ol
CID 114338080
1-[1-[(E)-but-2-enyl]piperidin-2-yl]propan-2-ol
CID 114338131
1-(1-But-3-enylpiperidin-2-yl)propan-2-ol
CID 114338289

Frequently Asked Questions

What is the IUPAC name of 1-(1-prop-2-enylazepan-2-yl)propan-2-ol?
The IUPAC name of 1-(1-prop-2-enylazepan-2-yl)propan-2-ol (CID 114338793) is 1-(1-prop-2-enylazepan-2-yl)propan-2-ol.
What is the SMILES notation for 1-(1-prop-2-enylazepan-2-yl)propan-2-ol?
The canonical SMILES for 1-(1-prop-2-enylazepan-2-yl)propan-2-ol is C=CCN1CCCCCC1CC(C)O.
What is the InChIKey of 1-(1-prop-2-enylazepan-2-yl)propan-2-ol?
The InChIKey is CAPBVFAWMYRJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-8-13-9-6-4-5-7-12(13)10-11(2)14/h3,11-12,14H,1,4-10H2,2H3.
What are the key properties of 1-(1-prop-2-enylazepan-2-yl)propan-2-ol?
1-(1-prop-2-enylazepan-2-yl)propan-2-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 1-(1-prop-2-enylazepan-2-yl)propan-2-ol is sourced from PubChem (CID 114338793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).