1-(oxolan-2-yl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine

C12H23NOS — CID 115889004

IUPAC1-(oxolan-2-yl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine
SMILESC=CCSCCNC(C)CC1CCCO1
InChIInChI=1S/C12H23NOS/c1-3-8-15-9-6-13-11(2)10-12-5-4-7-14-12/h3,11-13H,1,4-10H2,2H3
InChIKeyGYYLJBWPMVDJFZ-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.45
Rot. Bonds8

About 1-(oxolan-2-yl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine

1-(oxolan-2-yl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine (PubChem CID 115889004) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine
PubChem CID115889004
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name1-(oxolan-2-yl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine
SMILESC=CCSCCNC(C)CC1CCCO1
InChIInChI=1S/C12H23NOS/c1-3-8-15-9-6-13-11(2)10-12-5-4-7-14-12/h3,11-13H,1,4-10H2,2H3
InChIKeyGYYLJBWPMVDJFZ-UHFFFAOYSA-N
XLogP2.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[1-(oxolan-2-yl)propan-2-yl]pentan-1-amine
CID 115705777
N-[2-(oxolan-2-ylmethylsulfanyl)ethyl]pentan-2-amine
CID 106495839
2-methyl-1-(oxolan-2-ylmethyl)-3-(2-prop-2-enylsulfanylethyl)guanidine
CID 111138833
N-(2-ethylsulfonylethyl)-1-(oxolan-2-yl)propan-2-amine
CID 115716501
N-[(2-methylcyclopropyl)methyl]-1-(oxolan-2-yl)propan-2-amine
CID 115713100
N-methyl-1-(oxolan-2-yl)propan-2-amine
CID 60819551
2,3-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine
CID 115722687
N-(1-ethylsulfanylpropan-2-yl)-1-(oxolan-2-yl)propan-2-amine
CID 115725763
1-(oxolan-3-yl)-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 115889049
4-ethoxy-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine
CID 115710165
N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine
CID 166665828
1-(oxolan-2-yl)-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 115888839

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine?
The IUPAC name of 1-(oxolan-2-yl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine (CID 115889004) is 1-(oxolan-2-yl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine?
The canonical SMILES for 1-(oxolan-2-yl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine is C=CCSCCNC(C)CC1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine?
The InChIKey is GYYLJBWPMVDJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-3-8-15-9-6-13-11(2)10-12-5-4-7-14-12/h3,11-13H,1,4-10H2,2H3.
What are the key properties of 1-(oxolan-2-yl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine?
1-(oxolan-2-yl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine has a molecular weight of 229.39 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine is sourced from PubChem (CID 115889004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).