3-(methylamino)-N-propan-2-ylpyrrolidine-1-carboxamide

C9H19N3O — CID 83697103

IUPAC3-(methylamino)-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCNC1CCN(C(=O)NC(C)C)C1
InChIInChI=1S/C9H19N3O/c1-7(2)11-9(13)12-5-4-8(6-12)10-3/h7-8,10H,4-6H2,1-3H3,(H,11,13)
InChIKeyOZUPYLISYJEWQC-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.40
Rot. Bonds2

About 3-(methylamino)-N-propan-2-ylpyrrolidine-1-carboxamide

3-(methylamino)-N-propan-2-ylpyrrolidine-1-carboxamide (PubChem CID 83697103) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(methylamino)-N-propan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(methylamino)-N-propan-2-ylpyrrolidine-1-carboxamide
PubChem CID83697103
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-(methylamino)-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCNC1CCN(C(=O)NC(C)C)C1
InChIInChI=1S/C9H19N3O/c1-7(2)11-9(13)12-5-4-8(6-12)10-3/h7-8,10H,4-6H2,1-3H3,(H,11,13)
InChIKeyOZUPYLISYJEWQC-UHFFFAOYSA-N
XLogP0.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(methylamino)-N-propan-2-ylpiperidine-1-carboxamide
CID 94475900
9-methyl-N-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 115667395
N,3-di(propan-2-yl)pyrrolidine-1-carboxamide;molecular hydrogen
CID 169182520
methyl N-[1-(propan-2-ylcarbamoyl)piperidin-4-yl]carbamate
CID 110822365
propan-2-yl 3-(methylamino)pyrrolidine-1-carboxylate
CID 115300213
4-amino-3-ethyl-N-propan-2-ylpiperidine-1-carboxamide
CID 81458117
1-[(3R)-3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride
CID 172646265
N-propan-2-ylazetidine-1-carboxamide
CID 126972093
3,3,3-trifluoro-2-methyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one
CID 119413662
4-[(2-phenylacetyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822348
4-(3,3-dimethylbutanoylamino)-N-propan-2-ylpiperidine-1-carboxamide
CID 110822375
4-piperidin-1-yl-N-propan-2-ylpiperidine-1-carboxamide
CID 115582950

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-propan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of 3-(methylamino)-N-propan-2-ylpyrrolidine-1-carboxamide (CID 83697103) is 3-(methylamino)-N-propan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(methylamino)-N-propan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-(methylamino)-N-propan-2-ylpyrrolidine-1-carboxamide is CNC1CCN(C(=O)NC(C)C)C1.
What is the InChIKey of 3-(methylamino)-N-propan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is OZUPYLISYJEWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(2)11-9(13)12-5-4-8(6-12)10-3/h7-8,10H,4-6H2,1-3H3,(H,11,13).
What are the key properties of 3-(methylamino)-N-propan-2-ylpyrrolidine-1-carboxamide?
3-(methylamino)-N-propan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 185.27 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-propan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 83697103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).