1-prop-2-enyl(213C)azinane

C8H15N — CID 173137320

IUPAC1-prop-2-enyl(213C)azinane
SMILESC=CCN1CCCC[13CH2]1
InChIInChI=1S/C8H15N/c1-2-6-9-7-4-3-5-8-9/h2H,1,3-8H2/i7+1
InChIKeyKYGMSGYKSGNPHM-CDYZYAPPSA-N
MW126.21 g/mol
LogP1.66
Rot. Bonds2

About 1-prop-2-enyl(213C)azinane

1-prop-2-enyl(213C)azinane (PubChem CID 173137320) has the molecular formula C8H15N and a molecular weight of 126.21 g/mol. Its IUPAC name is 1-prop-2-enyl(213C)azinane.

Molecular Properties

Compound Name1-prop-2-enyl(213C)azinane
PubChem CID173137320
Molecular FormulaC8H15N
Molecular Weight126.21 g/mol
Exact Mass126.12
IUPAC Name1-prop-2-enyl(213C)azinane
SMILESC=CCN1CCCC[13CH2]1
InChIInChI=1S/C8H15N/c1-2-6-9-7-4-3-5-8-9/h2H,1,3-8H2/i7+1
InChIKeyKYGMSGYKSGNPHM-CDYZYAPPSA-N
XLogP1.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.21
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-prop-2-enylpiperidine;urea
CID 66978518
4-piperidin-1-yl-1-prop-2-enylpiperidine
CID 51086783
3-prop-2-enyl-3-azaspiro[5.5]undecane
CID 125489505
1-iodo-4-prop-2-enylpiperazine
CID 129141031
2-(4-prop-2-enylpiperazin-1-yl)ethanol
CID 4739633
1-(prop-2-enoxymethyl)piperidine
CID 14644958
1-(2-piperidin-1-ylethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 99841220
5-prop-2-enyl-1,2,5-thiadiazocane 1,1-dioxide
CID 117015264
1-(2-sulfonylethyl)piperidine
CID 151556263
(1-prop-2-enylpiperidin-4-yl)methanol
CID 60768656
1-hept-6-enylpiperidine
CID 143080853
cyclopropyl-(4-prop-2-enylpiperazin-1-yl)methanone
CID 6467866

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl(213C)azinane?
The IUPAC name of 1-prop-2-enyl(213C)azinane (CID 173137320) is 1-prop-2-enyl(213C)azinane.
What is the SMILES notation for 1-prop-2-enyl(213C)azinane?
The canonical SMILES for 1-prop-2-enyl(213C)azinane is C=CCN1CCCC[13CH2]1.
What is the InChIKey of 1-prop-2-enyl(213C)azinane?
The InChIKey is KYGMSGYKSGNPHM-CDYZYAPPSA-N. The full InChI is InChI=1S/C8H15N/c1-2-6-9-7-4-3-5-8-9/h2H,1,3-8H2/i7+1.
What are the key properties of 1-prop-2-enyl(213C)azinane?
1-prop-2-enyl(213C)azinane has a molecular weight of 126.21 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl(213C)azinane is sourced from PubChem (CID 173137320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).