N-methyl-1-(3-propan-2-yloxiran-2-yl)ethanamine

C8H17NO — CID 167005290

IUPACN-methyl-1-(3-propan-2-yloxiran-2-yl)ethanamine
SMILESCNC(C)C1OC1C(C)C
InChIInChI=1S/C8H17NO/c1-5(2)7-8(10-7)6(3)9-4/h5-9H,1-4H3
InChIKeyRNLGTGYAUFCZRI-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.02
Rot. Bonds3

About N-methyl-1-(3-propan-2-yloxiran-2-yl)ethanamine

N-methyl-1-(3-propan-2-yloxiran-2-yl)ethanamine (PubChem CID 167005290) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-methyl-1-(3-propan-2-yloxiran-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(3-propan-2-yloxiran-2-yl)ethanamine
PubChem CID167005290
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-methyl-1-(3-propan-2-yloxiran-2-yl)ethanamine
SMILESCNC(C)C1OC1C(C)C
InChIInChI=1S/C8H17NO/c1-5(2)7-8(10-7)6(3)9-4/h5-9H,1-4H3
InChIKeyRNLGTGYAUFCZRI-UHFFFAOYSA-N
XLogP1.02
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,4R,5S)-3,4-difluoro-2,5-di(propan-2-yl)oxolane
CID 164775725
(2S,3S,4S,5R)-3,4-difluoro-2,5-di(propan-2-yl)oxolane
CID 164775785
2,4-di(propan-2-yl)oxetan-3-amine
CID 135394203
(2R,3S,4R,5S)-3,4-dimethyl-2,5-di(propan-2-yl)oxolane
CID 130441371
2-pentan-3-yl-3-propan-2-yloxirane
CID 22934396
(2R,3S,4S,5S)-4-fluoro-2,5-di(propan-2-yl)oxolan-3-ol
CID 164775784
2-ethyl-3-propan-2-yloxirane
CID 22934413
N-methyl-1-(3-methylcyclobutyl)ethanamine
CID 103565343
1-(3-methoxyoxiran-2-yl)-N,2-dimethylpropan-1-amine
CID 91055081
1-cyclopropyl-N-methylethanamine;hydrochloride
CID 24649766
2,4,5-tri(propan-2-yl)-1,3-oxazolidine
CID 166020016
[(2R,3R,4S,5S)-4-acetyloxy-2,5-di(propan-2-yl)oxolan-3-yl] acetate
CID 164775782

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-propan-2-yloxiran-2-yl)ethanamine?
The IUPAC name of N-methyl-1-(3-propan-2-yloxiran-2-yl)ethanamine (CID 167005290) is N-methyl-1-(3-propan-2-yloxiran-2-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(3-propan-2-yloxiran-2-yl)ethanamine?
The canonical SMILES for N-methyl-1-(3-propan-2-yloxiran-2-yl)ethanamine is CNC(C)C1OC1C(C)C.
What is the InChIKey of N-methyl-1-(3-propan-2-yloxiran-2-yl)ethanamine?
The InChIKey is RNLGTGYAUFCZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-5(2)7-8(10-7)6(3)9-4/h5-9H,1-4H3.
What are the key properties of N-methyl-1-(3-propan-2-yloxiran-2-yl)ethanamine?
N-methyl-1-(3-propan-2-yloxiran-2-yl)ethanamine has a molecular weight of 143.23 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-propan-2-yloxiran-2-yl)ethanamine is sourced from PubChem (CID 167005290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).