methyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate

C9H18N2O2 — CID 115612489

IUPACmethyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate
SMILESCOC(=O)N(C)CC1CCN(C)C1
InChIInChI=1S/C9H18N2O2/c1-10-5-4-8(6-10)7-11(2)9(12)13-3/h8H,4-7H2,1-3H3
InChIKeyJFJCHIFIMCHOCG-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.64
Rot. Bonds2

About methyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate

methyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate (PubChem CID 115612489) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate
PubChem CID115612489
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namemethyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate
SMILESCOC(=O)N(C)CC1CCN(C)C1
InChIInChI=1S/C9H18N2O2/c1-10-5-4-8(6-10)7-11(2)9(12)13-3/h8H,4-7H2,1-3H3
InChIKeyJFJCHIFIMCHOCG-UHFFFAOYSA-N
XLogP0.64
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoroethyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate
CID 63373626
N-methyl-2-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 63274011
[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]mercury
CID 144727808
2-(cyclopropylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 63273590
3-cyclopentyl-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 115613492
3-[(4-ethylcyclohexyl)methyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 75369748
(2R)-2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 78928409
2-chloro-N-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]acetamide
CID 63275498
1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 63275214
1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]thiourea
CID 63276177
2-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]acetamide
CID 63297553
methyl 1-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclopropane-1-carboxylate
CID 115247638

Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate?
The IUPAC name of methyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate (CID 115612489) is methyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate.
What is the SMILES notation for methyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate?
The canonical SMILES for methyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate is COC(=O)N(C)CC1CCN(C)C1.
What is the InChIKey of methyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate?
The InChIKey is JFJCHIFIMCHOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-10-5-4-8(6-10)7-11(2)9(12)13-3/h8H,4-7H2,1-3H3.
What are the key properties of methyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate?
methyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate has a molecular weight of 186.25 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate is sourced from PubChem (CID 115612489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).