1-(5-methyloxolan-2-yl)-N-prop-2-enylethane-1,2-diamine

C10H20N2O — CID 82835517

IUPAC1-(5-methyloxolan-2-yl)-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNC(CN)C1CCC(C)O1
InChIInChI=1S/C10H20N2O/c1-3-6-12-9(7-11)10-5-4-8(2)13-10/h3,8-10,12H,1,4-7,11H2,2H3
InChIKeyWTJLOPHVUSOPJL-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.66
Rot. Bonds5

About 1-(5-methyloxolan-2-yl)-N-prop-2-enylethane-1,2-diamine

1-(5-methyloxolan-2-yl)-N-prop-2-enylethane-1,2-diamine (PubChem CID 82835517) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(5-methyloxolan-2-yl)-N-prop-2-enylethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-methyloxolan-2-yl)-N-prop-2-enylethane-1,2-diamine
PubChem CID82835517
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-(5-methyloxolan-2-yl)-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNC(CN)C1CCC(C)O1
InChIInChI=1S/C10H20N2O/c1-3-6-12-9(7-11)10-5-4-8(2)13-10/h3,8-10,12H,1,4-7,11H2,2H3
InChIKeyWTJLOPHVUSOPJL-UHFFFAOYSA-N
XLogP0.66
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-[5-(1-propan-2-yloxyethenyl)pyrrolidin-2-yl]methanamine
CID 172335873
N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine
CID 55070301
N-[1-(oxolan-2-yl)ethyl]prop-2-en-1-amine
CID 62141256
N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 62437685
N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 62437686
N-[[5-[[bis(prop-2-enyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62437687
N'-ethyl-N'-(oxolan-2-ylmethyl)-N-prop-2-enylethane-1,2-diamine
CID 62554853
N'-methyl-N'-(oxolan-2-ylmethyl)-N-prop-2-enylethane-1,2-diamine
CID 62555905
N-methyl-N'-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
CID 62559751
N-ethyl-N'-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
CID 62559951
N'-[1-(oxolan-2-yl)ethyl]-N-propylethane-1,2-diamine
CID 62559957
N'-[1-(oxolan-2-yl)ethyl]-N-propan-2-ylethane-1,2-diamine
CID 62559960

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyloxolan-2-yl)-N-prop-2-enylethane-1,2-diamine?
The IUPAC name of 1-(5-methyloxolan-2-yl)-N-prop-2-enylethane-1,2-diamine (CID 82835517) is 1-(5-methyloxolan-2-yl)-N-prop-2-enylethane-1,2-diamine.
What is the SMILES notation for 1-(5-methyloxolan-2-yl)-N-prop-2-enylethane-1,2-diamine?
The canonical SMILES for 1-(5-methyloxolan-2-yl)-N-prop-2-enylethane-1,2-diamine is C=CCNC(CN)C1CCC(C)O1.
What is the InChIKey of 1-(5-methyloxolan-2-yl)-N-prop-2-enylethane-1,2-diamine?
The InChIKey is WTJLOPHVUSOPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-6-12-9(7-11)10-5-4-8(2)13-10/h3,8-10,12H,1,4-7,11H2,2H3.
What are the key properties of 1-(5-methyloxolan-2-yl)-N-prop-2-enylethane-1,2-diamine?
1-(5-methyloxolan-2-yl)-N-prop-2-enylethane-1,2-diamine has a molecular weight of 184.28 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyloxolan-2-yl)-N-prop-2-enylethane-1,2-diamine is sourced from PubChem (CID 82835517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).