N-(3-aminopropyl)-N-methylpyrrolidine-1-carboxamide

C9H19N3O — CID 79160813

IUPACN-(3-aminopropyl)-N-methylpyrrolidine-1-carboxamide
SMILESCN(CCCN)C(=O)N1CCCC1
InChIInChI=1S/C9H19N3O/c1-11(6-4-5-10)9(13)12-7-2-3-8-12/h2-8,10H2,1H3
InChIKeyRTXDSUWHBJXXAF-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.48
Rot. Bonds3

About N-(3-aminopropyl)-N-methylpyrrolidine-1-carboxamide

N-(3-aminopropyl)-N-methylpyrrolidine-1-carboxamide (PubChem CID 79160813) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-methylpyrrolidine-1-carboxamide
PubChem CID79160813
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN-(3-aminopropyl)-N-methylpyrrolidine-1-carboxamide
SMILESCN(CCCN)C(=O)N1CCCC1
InChIInChI=1S/C9H19N3O/c1-11(6-4-5-10)9(13)12-7-2-3-8-12/h2-8,10H2,1H3
InChIKeyRTXDSUWHBJXXAF-UHFFFAOYSA-N
XLogP0.48
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-N-methylpiperidine-1-carboxamide
CID 79155525
N-(5-aminopentyl)-N-methylpiperidine-1-carboxamide
CID 107206810
N-methyl-N-pentylpyrrolidine-1-carboxamide
CID 116654215
N-(3-bromopropyl)-N-methylpyrrolidine-1-carboxamide
CID 106441576
N-(3-aminopropyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 79156152
N-(5-aminopentyl)-N-methylmorpholine-4-carboxamide
CID 107206795
N-(2-hydroxyethyl)-N-methylpiperidine-1-carboxamide
CID 68606002
N-(3-amino-2,2-dimethylpropyl)-N-methylpyrrolidine-1-carboxamide
CID 79652128
N-(3-aminopropyl)-2-(azepan-1-yl)-N-methylacetamide
CID 43253394
N-(3-amino-2-methylpropyl)-N-methylazepane-1-carboxamide
CID 79152799
2-[3-aminopropyl(propan-2-yl)amino]-1-(azepan-1-yl)ethanone
CID 43137448
2-[3-aminopropyl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 43137255

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-methylpyrrolidine-1-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-methylpyrrolidine-1-carboxamide (CID 79160813) is N-(3-aminopropyl)-N-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-methylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-methylpyrrolidine-1-carboxamide is CN(CCCN)C(=O)N1CCCC1.
What is the InChIKey of N-(3-aminopropyl)-N-methylpyrrolidine-1-carboxamide?
The InChIKey is RTXDSUWHBJXXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-11(6-4-5-10)9(13)12-7-2-3-8-12/h2-8,10H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-methylpyrrolidine-1-carboxamide?
N-(3-aminopropyl)-N-methylpyrrolidine-1-carboxamide has a molecular weight of 185.27 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 79160813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).