N-(3-amino-2,2-dimethylpropyl)-3-(1-methylpyrrolidin-3-yl)propanamide

C13H27N3O — CID 115271090

IUPACN-(3-amino-2,2-dimethylpropyl)-3-(1-methylpyrrolidin-3-yl)propanamide
SMILESCN1CCC(CCC(=O)NCC(C)(C)CN)C1
InChIInChI=1S/C13H27N3O/c1-13(2,9-14)10-15-12(17)5-4-11-6-7-16(3)8-11/h11H,4-10,14H2,1-3H3,(H,15,17)
InChIKeyIOFSFMMUNXZREB-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.82
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-3-(1-methylpyrrolidin-3-yl)propanamide

N-(3-amino-2,2-dimethylpropyl)-3-(1-methylpyrrolidin-3-yl)propanamide (PubChem CID 115271090) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-3-(1-methylpyrrolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-3-(1-methylpyrrolidin-3-yl)propanamide
PubChem CID115271090
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-3-(1-methylpyrrolidin-3-yl)propanamide
SMILESCN1CCC(CCC(=O)NCC(C)(C)CN)C1
InChIInChI=1S/C13H27N3O/c1-13(2,9-14)10-15-12(17)5-4-11-6-7-16(3)8-11/h11H,4-10,14H2,1-3H3,(H,15,17)
InChIKeyIOFSFMMUNXZREB-UHFFFAOYSA-N
XLogP0.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3,3-dimethyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
CID 115157486
N-(3-amino-2-methylpropyl)-4-(1-methylpyrrolidin-3-yl)butanamide
CID 115271802
1-(4-aminopiperazin-1-yl)-3-(1-methylpyrrolidin-3-yl)propan-1-one
CID 167474650
N-[4-(methylamino)cyclohexyl]-3-(1-methylpyrrolidin-3-yl)propanamide
CID 116816962
4-[2-(1-methylpyrrolidin-3-yl)ethylamino]-4-oxobutanoic acid
CID 115163740
N-(2-amino-2-methylpropyl)-3-cyclopentylpropanamide
CID 81425234
N-[2-(dimethylamino)ethyl]-3-(1-methylpiperidin-4-yl)propanamide
CID 20719712
4-amino-3,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide
CID 115157360
2-methyl-2-[3-(1-methylpiperidin-4-yl)propanoylamino]propanoic acid
CID 110837588
2,2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]butane-1,4-diamine
CID 115204944
3-amino-N-[2-(1-methylpiperidin-3-yl)ethyl]propanamide
CID 115153050
4-amino-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pentanamide
CID 115740935

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-(1-methylpyrrolidin-3-yl)propanamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-(1-methylpyrrolidin-3-yl)propanamide (CID 115271090) is N-(3-amino-2,2-dimethylpropyl)-3-(1-methylpyrrolidin-3-yl)propanamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-3-(1-methylpyrrolidin-3-yl)propanamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-3-(1-methylpyrrolidin-3-yl)propanamide is CN1CCC(CCC(=O)NCC(C)(C)CN)C1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-3-(1-methylpyrrolidin-3-yl)propanamide?
The InChIKey is IOFSFMMUNXZREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-13(2,9-14)10-15-12(17)5-4-11-6-7-16(3)8-11/h11H,4-10,14H2,1-3H3,(H,15,17).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-3-(1-methylpyrrolidin-3-yl)propanamide?
N-(3-amino-2,2-dimethylpropyl)-3-(1-methylpyrrolidin-3-yl)propanamide has a molecular weight of 241.38 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-3-(1-methylpyrrolidin-3-yl)propanamide is sourced from PubChem (CID 115271090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).