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

C14H29N3O — CID 80543957

IUPAC4-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide
SMILESCC(CCN)C(=O)NCC(C(C)C)N1CCCC1
InChIInChI=1S/C14H29N3O/c1-11(2)13(17-8-4-5-9-17)10-16-14(18)12(3)6-7-15/h11-13H,4-10,15H2,1-3H3,(H,16,18)
InChIKeyGHXYPLPCSNELGV-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.21
Rot. Bonds7

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

4-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide (PubChem CID 80543957) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 4-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide
PubChem CID80543957
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name4-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide
SMILESCC(CCN)C(=O)NCC(C(C)C)N1CCCC1
InChIInChI=1S/C14H29N3O/c1-11(2)13(17-8-4-5-9-17)10-16-14(18)12(3)6-7-15/h11-13H,4-10,15H2,1-3H3,(H,16,18)
InChIKeyGHXYPLPCSNELGV-UHFFFAOYSA-N
XLogP1.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)heptanamide
CID 65292407
4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide
CID 61275431
3-amino-2-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide
CID 106112457
2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide
CID 62639167
2,3-dimethyl-4-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-4-oxobutanoic acid
CID 103496866
5-amino-4-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide
CID 82012268
1-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1-carboxamide
CID 115448375
4-amino-N-(2,3-dimethylbutyl)-2-methylbutanamide
CID 80544787
4-amino-N-[(2S)-2-hydroxypropyl]-2-methylbutanamide
CID 107221139
4-amino-2-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 80543621
2,3-dimethyl-4-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-4-oxobut-2-enoic acid
CID 76992850
3-methyl-N-(3-methyl-2-piperidin-1-ylbutyl)butanamide
CID 110402825

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide?
The IUPAC name of 4-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide (CID 80543957) is 4-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide.
What is the SMILES notation for 4-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide?
The canonical SMILES for 4-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide is CC(CCN)C(=O)NCC(C(C)C)N1CCCC1.
What is the InChIKey of 4-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide?
The InChIKey is GHXYPLPCSNELGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11(2)13(17-8-4-5-9-17)10-16-14(18)12(3)6-7-15/h11-13H,4-10,15H2,1-3H3,(H,16,18).
What are the key properties of 4-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide?
4-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide has a molecular weight of 255.41 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide is sourced from PubChem (CID 80543957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).