N-methyl-2-(oxolan-3-yl)prop-2-en-1-amine

C8H15NO — CID 117266258

IUPACN-methyl-2-(oxolan-3-yl)prop-2-en-1-amine
SMILESC=C(CNC)C1CCOC1
InChIInChI=1S/C8H15NO/c1-7(5-9-2)8-3-4-10-6-8/h8-9H,1,3-6H2,2H3
InChIKeyILQUNUIDPFVDQF-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.80
Rot. Bonds3

About N-methyl-2-(oxolan-3-yl)prop-2-en-1-amine

N-methyl-2-(oxolan-3-yl)prop-2-en-1-amine (PubChem CID 117266258) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-methyl-2-(oxolan-3-yl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-(oxolan-3-yl)prop-2-en-1-amine
PubChem CID117266258
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-methyl-2-(oxolan-3-yl)prop-2-en-1-amine
SMILESC=C(CNC)C1CCOC1
InChIInChI=1S/C8H15NO/c1-7(5-9-2)8-3-4-10-6-8/h8-9H,1,3-6H2,2H3
InChIKeyILQUNUIDPFVDQF-UHFFFAOYSA-N
XLogP0.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-5-(oxolan-3-yl)hex-5-en-1-ol
CID 166661479
N-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine
CID 115278072
N,3-dimethyl-2-(oxolan-3-ylmethylidene)butan-1-amine
CID 115278117
2-[methyl-[2-(methylamino)ethyl]amino]-1-(oxolan-3-yl)ethanone
CID 104750828
N-methyl-2-(oxan-4-yl)prop-2-enamide
CID 165147105
N-methyl-1-[(3R)-oxolan-3-yl]methanamine
CID 30427580
N-[2-(methylamino)propyl]oxolane-3-carboxamide
CID 103512805
(3S)-3-prop-1-en-2-yloxane
CID 154017208
N-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide
CID 127304188
[2-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 119261296
N-(2-amino-2-sulfanylideneethyl)oxolane-3-carboxamide
CID 61276568
N-[(2R)-2-hydroxypropyl]oxolane-3-carboxamide
CID 83032356

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxolan-3-yl)prop-2-en-1-amine?
The IUPAC name of N-methyl-2-(oxolan-3-yl)prop-2-en-1-amine (CID 117266258) is N-methyl-2-(oxolan-3-yl)prop-2-en-1-amine.
What is the SMILES notation for N-methyl-2-(oxolan-3-yl)prop-2-en-1-amine?
The canonical SMILES for N-methyl-2-(oxolan-3-yl)prop-2-en-1-amine is C=C(CNC)C1CCOC1.
What is the InChIKey of N-methyl-2-(oxolan-3-yl)prop-2-en-1-amine?
The InChIKey is ILQUNUIDPFVDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(5-9-2)8-3-4-10-6-8/h8-9H,1,3-6H2,2H3.
What are the key properties of N-methyl-2-(oxolan-3-yl)prop-2-en-1-amine?
N-methyl-2-(oxolan-3-yl)prop-2-en-1-amine has a molecular weight of 141.21 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxolan-3-yl)prop-2-en-1-amine is sourced from PubChem (CID 117266258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).