N'-methyl-N'-(oxolan-3-yl)-N-prop-2-enylethane-1,2-diamine

C10H20N2O — CID 82739917

IUPACN'-methyl-N'-(oxolan-3-yl)-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNCCN(C)C1CCOC1
InChIInChI=1S/C10H20N2O/c1-3-5-11-6-7-12(2)10-4-8-13-9-10/h3,10-11H,1,4-9H2,2H3
InChIKeyYXWZLRZAONITGR-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.48
Rot. Bonds6

About N'-methyl-N'-(oxolan-3-yl)-N-prop-2-enylethane-1,2-diamine

N'-methyl-N'-(oxolan-3-yl)-N-prop-2-enylethane-1,2-diamine (PubChem CID 82739917) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N'-methyl-N'-(oxolan-3-yl)-N-prop-2-enylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(oxolan-3-yl)-N-prop-2-enylethane-1,2-diamine
PubChem CID82739917
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN'-methyl-N'-(oxolan-3-yl)-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNCCN(C)C1CCOC1
InChIInChI=1S/C10H20N2O/c1-3-5-11-6-7-12(2)10-4-8-13-9-10/h3,10-11H,1,4-9H2,2H3
InChIKeyYXWZLRZAONITGR-UHFFFAOYSA-N
XLogP0.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.48
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-(cyclopropylmethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82739830
N'-methyl-N'-(4-methylcyclohexyl)-N-prop-2-enylethane-1,2-diamine
CID 62556852
N'-methyl-N-(4-methylpentyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754643
N-methyl-N-(oxolan-3-yl)-2-(prop-2-enylamino)acetamide
CID 82737943
N-(2-ethoxyethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754461
N-(3-ethoxypropyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754548
N-(3-chloropropyl)-N-methyloxolan-3-amine
CID 82747859
N-cyclopentyl-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82753838
N-butan-2-yl-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82740088
N-tert-butyl-N'-methyl-N'-(oxolan-3-yl)butane-1,4-diamine
CID 82754356
N'-methyl-N-(4-methylcyclohexyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754007
2-[methyl(oxolan-3-yl)amino]acetaldehyde
CID 82742163

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(oxolan-3-yl)-N-prop-2-enylethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(oxolan-3-yl)-N-prop-2-enylethane-1,2-diamine (CID 82739917) is N'-methyl-N'-(oxolan-3-yl)-N-prop-2-enylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(oxolan-3-yl)-N-prop-2-enylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(oxolan-3-yl)-N-prop-2-enylethane-1,2-diamine is C=CCNCCN(C)C1CCOC1.
What is the InChIKey of N'-methyl-N'-(oxolan-3-yl)-N-prop-2-enylethane-1,2-diamine?
The InChIKey is YXWZLRZAONITGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-5-11-6-7-12(2)10-4-8-13-9-10/h3,10-11H,1,4-9H2,2H3.
What are the key properties of N'-methyl-N'-(oxolan-3-yl)-N-prop-2-enylethane-1,2-diamine?
N'-methyl-N'-(oxolan-3-yl)-N-prop-2-enylethane-1,2-diamine has a molecular weight of 184.28 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(oxolan-3-yl)-N-prop-2-enylethane-1,2-diamine is sourced from PubChem (CID 82739917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).