3-(aminomethyl)-N,2-dimethylpyrrolidine-1-carboxamide

C8H17N3O — CID 131204335

IUPAC3-(aminomethyl)-N,2-dimethylpyrrolidine-1-carboxamide
SMILESCNC(=O)N1CCC(CN)C1C
InChIInChI=1S/C8H17N3O/c1-6-7(5-9)3-4-11(6)8(12)10-2/h6-7H,3-5,9H2,1-2H3,(H,10,12)
InChIKeyQGCPRWZEPCUVNC-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.01
Rot. Bonds1

About 3-(aminomethyl)-N,2-dimethylpyrrolidine-1-carboxamide

3-(aminomethyl)-N,2-dimethylpyrrolidine-1-carboxamide (PubChem CID 131204335) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-(aminomethyl)-N,2-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-N,2-dimethylpyrrolidine-1-carboxamide
PubChem CID131204335
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name3-(aminomethyl)-N,2-dimethylpyrrolidine-1-carboxamide
SMILESCNC(=O)N1CCC(CN)C1C
InChIInChI=1S/C8H17N3O/c1-6-7(5-9)3-4-11(6)8(12)10-2/h6-7H,3-5,9H2,1-2H3,(H,10,12)
InChIKeyQGCPRWZEPCUVNC-UHFFFAOYSA-N
XLogP-0.01
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one
CID 130834230
2-(aminomethyl)-4-methoxy-N-methylpiperidine-1-carboxamide
CID 112622411
3-amino-N-ethyl-2-methylpyrrolidine-1-carboxamide
CID 130557882
N-ethoxy-2,3-dimethylpyrrolidine-1-carboxamide
CID 126989361
3-(bromomethyl)-2-methylpyrrolidine-1-carboxylic acid
CID 139490802
2-(3-aminopropyl)-N-methylpiperidine-1-carboxamide
CID 82506005
(3R,4R)-4-(aminomethyl)-3-methylpiperidine-1-carboxylic acid
CID 70462326
2-amino-1-(3-amino-2-methylpyrrolidin-1-yl)ethanone;hydrochloride
CID 130686037
1-[2-(aminomethyl)cyclohexanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79372312
2-methyl-1-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 79383362
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-methylpropanamide
CID 114961414
2-amino-1-(2,3-dimethylpyrrolidin-1-yl)ethanone
CID 130932525

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,2-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of 3-(aminomethyl)-N,2-dimethylpyrrolidine-1-carboxamide (CID 131204335) is 3-(aminomethyl)-N,2-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-N,2-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-(aminomethyl)-N,2-dimethylpyrrolidine-1-carboxamide is CNC(=O)N1CCC(CN)C1C.
What is the InChIKey of 3-(aminomethyl)-N,2-dimethylpyrrolidine-1-carboxamide?
The InChIKey is QGCPRWZEPCUVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-6-7(5-9)3-4-11(6)8(12)10-2/h6-7H,3-5,9H2,1-2H3,(H,10,12).
What are the key properties of 3-(aminomethyl)-N,2-dimethylpyrrolidine-1-carboxamide?
3-(aminomethyl)-N,2-dimethylpyrrolidine-1-carboxamide has a molecular weight of 171.24 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,2-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 131204335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).