N-methyl-1-(1-methylpyrrolidin-2-yl)-N-(oxiran-2-ylmethyl)methanamine

C10H20N2O — CID 79313818

IUPACN-methyl-1-(1-methylpyrrolidin-2-yl)-N-(oxiran-2-ylmethyl)methanamine
SMILESCN(CC1CO1)CC1CCCN1C
InChIInChI=1S/C10H20N2O/c1-11(7-10-8-13-10)6-9-4-3-5-12(9)2/h9-10H,3-8H2,1-2H3
InChIKeyPQJFNXQTSNSHCM-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.41
Rot. Bonds4

About N-methyl-1-(1-methylpyrrolidin-2-yl)-N-(oxiran-2-ylmethyl)methanamine

N-methyl-1-(1-methylpyrrolidin-2-yl)-N-(oxiran-2-ylmethyl)methanamine (PubChem CID 79313818) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-methyl-1-(1-methylpyrrolidin-2-yl)-N-(oxiran-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylpyrrolidin-2-yl)-N-(oxiran-2-ylmethyl)methanamine
PubChem CID79313818
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-methyl-1-(1-methylpyrrolidin-2-yl)-N-(oxiran-2-ylmethyl)methanamine
SMILESCN(CC1CO1)CC1CCCN1C
InChIInChI=1S/C10H20N2O/c1-11(7-10-8-13-10)6-9-4-3-5-12(9)2/h9-10H,3-8H2,1-2H3
InChIKeyPQJFNXQTSNSHCM-UHFFFAOYSA-N
XLogP0.41
TPSA19.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol
CID 103935244
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-piperidin-2-ylmethanamine
CID 79314836
4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propyloxolan-3-amine
CID 79320006
N-methyl-1-(1-methylpyrrolidin-2-yl)-N-[(3-methylpyrrolidin-2-yl)methyl]methanamine
CID 102776104
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]but-3-yn-1-amine
CID 79319044
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 79314288
3-bromo-N,2,2-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine
CID 79318918
N-methyl-N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
CID 105431089
6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]hexanoic acid
CID 79314027
2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanenitrile
CID 79314144
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-propylethane-1,2-diamine
CID 79314040
trifluoro-[3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]prop-1-en-2-yl]boranuide
CID 106746162

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylpyrrolidin-2-yl)-N-(oxiran-2-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-(1-methylpyrrolidin-2-yl)-N-(oxiran-2-ylmethyl)methanamine (CID 79313818) is N-methyl-1-(1-methylpyrrolidin-2-yl)-N-(oxiran-2-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-(1-methylpyrrolidin-2-yl)-N-(oxiran-2-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-(1-methylpyrrolidin-2-yl)-N-(oxiran-2-ylmethyl)methanamine is CN(CC1CO1)CC1CCCN1C.
What is the InChIKey of N-methyl-1-(1-methylpyrrolidin-2-yl)-N-(oxiran-2-ylmethyl)methanamine?
The InChIKey is PQJFNXQTSNSHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-11(7-10-8-13-10)6-9-4-3-5-12(9)2/h9-10H,3-8H2,1-2H3.
What are the key properties of N-methyl-1-(1-methylpyrrolidin-2-yl)-N-(oxiran-2-ylmethyl)methanamine?
N-methyl-1-(1-methylpyrrolidin-2-yl)-N-(oxiran-2-ylmethyl)methanamine has a molecular weight of 184.28 g/mol, XLogP of 0.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylpyrrolidin-2-yl)-N-(oxiran-2-ylmethyl)methanamine is sourced from PubChem (CID 79313818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).