4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)butanamide

C12H25N3O — CID 62060306

IUPAC4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)butanamide
SMILESCC(CNC(=O)CCCN)CN1CCCC1
InChIInChI=1S/C12H25N3O/c1-11(10-15-7-2-3-8-15)9-14-12(16)5-4-6-13/h11H,2-10,13H2,1H3,(H,14,16)
InChIKeyLKZAYKRCERNDLF-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.57
Rot. Bonds7

About 4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)butanamide

4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)butanamide (PubChem CID 62060306) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)butanamide
PubChem CID62060306
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)butanamide
SMILESCC(CNC(=O)CCCN)CN1CCCC1
InChIInChI=1S/C12H25N3O/c1-11(10-15-7-2-3-8-15)9-14-12(16)5-4-6-13/h11H,2-10,13H2,1H3,(H,14,16)
InChIKeyLKZAYKRCERNDLF-UHFFFAOYSA-N
XLogP0.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)heptanamide
CID 62060956
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62060304
5-amino-4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pentanamide
CID 82012433
ethyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-oxobutanoate
CID 61243779
2-(2-aminoethoxy)-N-(2-methyl-3-piperidin-1-ylpropyl)acetamide
CID 79474135
4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide
CID 61275431
2-(ethylamino)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62993703
2-methoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61061515
N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61062993
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide
CID 79278573
2-amino-3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide
CID 54906618
N-(2-methyl-3-piperidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide
CID 79277951

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)butanamide?
The IUPAC name of 4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)butanamide (CID 62060306) is 4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)butanamide.
What is the SMILES notation for 4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)butanamide?
The canonical SMILES for 4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)butanamide is CC(CNC(=O)CCCN)CN1CCCC1.
What is the InChIKey of 4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)butanamide?
The InChIKey is LKZAYKRCERNDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-11(10-15-7-2-3-8-15)9-14-12(16)5-4-6-13/h11H,2-10,13H2,1H3,(H,14,16).
What are the key properties of 4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)butanamide?
4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)butanamide has a molecular weight of 227.35 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)butanamide is sourced from PubChem (CID 62060306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).