N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide

C15H29N3O — CID 106980920

IUPACN-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)N(C)CC2CCCN2C)CCNC1
InChIInChI=1S/C15H29N3O/c1-12(2)15(7-8-16-11-15)14(19)18(4)10-13-6-5-9-17(13)3/h12-13,16H,5-11H2,1-4H3
InChIKeyDKRGIBLUUMOHJD-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.17
Rot. Bonds4

About N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide

N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106980920) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106980920
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)N(C)CC2CCCN2C)CCNC1
InChIInChI=1S/C15H29N3O/c1-12(2)15(7-8-16-11-15)14(19)18(4)10-13-6-5-9-17(13)3/h12-13,16H,5-11H2,1-4H3
InChIKeyDKRGIBLUUMOHJD-UHFFFAOYSA-N
XLogP1.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclopentane-1-carboxamide
CID 79314654
1-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 79314821
N-methyl-N-(2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979682
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperazine-1-carboxamide
CID 79314035
N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 79312888
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 107217784
1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylurea
CID 116656611
2-amino-N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]propanamide
CID 121226107
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980151
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid
CID 79315922
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 79313817
N-methyl-1-(1-methylpyrrolidin-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
CID 79319125

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106980920) is N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide is CC(C)C1(C(=O)N(C)CC2CCCN2C)CCNC1.
What is the InChIKey of N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is DKRGIBLUUMOHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12(2)15(7-8-16-11-15)14(19)18(4)10-13-6-5-9-17(13)3/h12-13,16H,5-11H2,1-4H3.
What are the key properties of N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106980920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).