N-methyl-1-(oxolan-3-yl)ethenamine

C7H13NO — CID 143511898

IUPACN-methyl-1-(oxolan-3-yl)ethenamine
SMILESC=C(NC)C1CCOC1
InChIInChI=1S/C7H13NO/c1-6(8-2)7-3-4-9-5-7/h7-8H,1,3-5H2,2H3
InChIKeyCBSVOUYWHIGTDX-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.76
Rot. Bonds2

About N-methyl-1-(oxolan-3-yl)ethenamine

N-methyl-1-(oxolan-3-yl)ethenamine (PubChem CID 143511898) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-methyl-1-(oxolan-3-yl)ethenamine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-3-yl)ethenamine
PubChem CID143511898
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-methyl-1-(oxolan-3-yl)ethenamine
SMILESC=C(NC)C1CCOC1
InChIInChI=1S/C7H13NO/c1-6(8-2)7-3-4-9-5-7/h7-8H,1,3-5H2,2H3
InChIKeyCBSVOUYWHIGTDX-UHFFFAOYSA-N
XLogP0.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-3-yl)ethenamine?
The IUPAC name of N-methyl-1-(oxolan-3-yl)ethenamine (CID 143511898) is N-methyl-1-(oxolan-3-yl)ethenamine.
What is the SMILES notation for N-methyl-1-(oxolan-3-yl)ethenamine?
The canonical SMILES for N-methyl-1-(oxolan-3-yl)ethenamine is C=C(NC)C1CCOC1.
What is the InChIKey of N-methyl-1-(oxolan-3-yl)ethenamine?
The InChIKey is CBSVOUYWHIGTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(8-2)7-3-4-9-5-7/h7-8H,1,3-5H2,2H3.
What are the key properties of N-methyl-1-(oxolan-3-yl)ethenamine?
N-methyl-1-(oxolan-3-yl)ethenamine has a molecular weight of 127.19 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-3-yl)ethenamine is sourced from PubChem (CID 143511898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).