N-methyl-1-(methylaminomethyl)-N-[2-(1-methylpyrrolidin-3-yl)ethyl]cyclopropane-1-carboxamide

C14H27N3O — CID 115183166

IUPACN-methyl-1-(methylaminomethyl)-N-[2-(1-methylpyrrolidin-3-yl)ethyl]cyclopropane-1-carboxamide
SMILESCNCC1(C(=O)N(C)CCC2CCN(C)C2)CC1
InChIInChI=1S/C14H27N3O/c1-15-11-14(6-7-14)13(18)17(3)9-5-12-4-8-16(2)10-12/h12,15H,4-11H2,1-3H3
InChIKeyZZVHPHSLKYGKSM-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.79
Rot. Bonds6

About N-methyl-1-(methylaminomethyl)-N-[2-(1-methylpyrrolidin-3-yl)ethyl]cyclopropane-1-carboxamide

N-methyl-1-(methylaminomethyl)-N-[2-(1-methylpyrrolidin-3-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 115183166) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-methyl-1-(methylaminomethyl)-N-[2-(1-methylpyrrolidin-3-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(methylaminomethyl)-N-[2-(1-methylpyrrolidin-3-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID115183166
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-methyl-1-(methylaminomethyl)-N-[2-(1-methylpyrrolidin-3-yl)ethyl]cyclopropane-1-carboxamide
SMILESCNCC1(C(=O)N(C)CCC2CCN(C)C2)CC1
InChIInChI=1S/C14H27N3O/c1-15-11-14(6-7-14)13(18)17(3)9-5-12-4-8-16(2)10-12/h12,15H,4-11H2,1-3H3
InChIKeyZZVHPHSLKYGKSM-UHFFFAOYSA-N
XLogP0.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]carbamoyl chloride
CID 115195122
1-cyano-N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]formamide
CID 115172736
1-cyano-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutane-1-carboxamide
CID 115183405
1,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 115169549
1-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]cyclopropane-1-carboxylic acid
CID 115243109
2-amino-N,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide
CID 115152814
ethyl 3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]-3-oxopropanoate
CID 115138668
N-methyl-2-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 63274011
N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2-(1-methylpiperidin-3-yl)ethanamine
CID 115244956
N-tert-butyl-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115182931
1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 63275214
N-ethyl-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide
CID 115183652

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(methylaminomethyl)-N-[2-(1-methylpyrrolidin-3-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of N-methyl-1-(methylaminomethyl)-N-[2-(1-methylpyrrolidin-3-yl)ethyl]cyclopropane-1-carboxamide (CID 115183166) is N-methyl-1-(methylaminomethyl)-N-[2-(1-methylpyrrolidin-3-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-methyl-1-(methylaminomethyl)-N-[2-(1-methylpyrrolidin-3-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-methyl-1-(methylaminomethyl)-N-[2-(1-methylpyrrolidin-3-yl)ethyl]cyclopropane-1-carboxamide is CNCC1(C(=O)N(C)CCC2CCN(C)C2)CC1.
What is the InChIKey of N-methyl-1-(methylaminomethyl)-N-[2-(1-methylpyrrolidin-3-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is ZZVHPHSLKYGKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-15-11-14(6-7-14)13(18)17(3)9-5-12-4-8-16(2)10-12/h12,15H,4-11H2,1-3H3.
What are the key properties of N-methyl-1-(methylaminomethyl)-N-[2-(1-methylpyrrolidin-3-yl)ethyl]cyclopropane-1-carboxamide?
N-methyl-1-(methylaminomethyl)-N-[2-(1-methylpyrrolidin-3-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(methylaminomethyl)-N-[2-(1-methylpyrrolidin-3-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115183166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).