4-(propan-2-ylamino)-N-(2-pyrrolidin-1-ylethyl)butanamide

C13H27N3O — CID 60850954

IUPAC4-(propan-2-ylamino)-N-(2-pyrrolidin-1-ylethyl)butanamide
SMILESCC(C)NCCCC(=O)NCCN1CCCC1
InChIInChI=1S/C13H27N3O/c1-12(2)14-7-5-6-13(17)15-8-11-16-9-3-4-10-16/h12,14H,3-11H2,1-2H3,(H,15,17)
InChIKeySFMOSASESODETL-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.98
Rot. Bonds8

About 4-(propan-2-ylamino)-N-(2-pyrrolidin-1-ylethyl)butanamide

4-(propan-2-ylamino)-N-(2-pyrrolidin-1-ylethyl)butanamide (PubChem CID 60850954) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-(propan-2-ylamino)-N-(2-pyrrolidin-1-ylethyl)butanamide.

Molecular Properties

Compound Name4-(propan-2-ylamino)-N-(2-pyrrolidin-1-ylethyl)butanamide
PubChem CID60850954
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name4-(propan-2-ylamino)-N-(2-pyrrolidin-1-ylethyl)butanamide
SMILESCC(C)NCCCC(=O)NCCN1CCCC1
InChIInChI=1S/C13H27N3O/c1-12(2)14-7-5-6-13(17)15-8-11-16-9-3-4-10-16/h12,14H,3-11H2,1-2H3,(H,15,17)
InChIKeySFMOSASESODETL-UHFFFAOYSA-N
XLogP0.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(propan-2-ylamino)butanamide
CID 54860825
N-[2-(azepan-1-yl)ethyl]-2-(propan-2-ylamino)acetamide
CID 61240012
4-(methylamino)-N-(2-piperidin-1-ylethyl)butanamide;dihydrochloride
CID 119836634
4-hydroxy-N-(2-pyrrolidin-1-ylethyl)pentanamide
CID 79200302
N-(2-piperidin-1-ylethyl)pentanamide
CID 70962894
N-[2-(azepan-1-yl)ethyl]-4-hydroxybutanamide
CID 79193390
5-[2-(azepan-1-yl)ethylamino]-5-oxopentanoic acid
CID 53211701
N-butyl-4-(propan-2-ylamino)butanamide
CID 60851986
N-(3-methylbutyl)-3-pyrrolidin-1-ylpropanamide
CID 110688182
N-[2-(azocan-1-yl)ethyl]propan-2-amine
CID 60841843
N-[2-(diethylamino)ethyl]-4-(propan-2-ylamino)butanamide
CID 60849509
N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60850925

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylamino)-N-(2-pyrrolidin-1-ylethyl)butanamide?
The IUPAC name of 4-(propan-2-ylamino)-N-(2-pyrrolidin-1-ylethyl)butanamide (CID 60850954) is 4-(propan-2-ylamino)-N-(2-pyrrolidin-1-ylethyl)butanamide.
What is the SMILES notation for 4-(propan-2-ylamino)-N-(2-pyrrolidin-1-ylethyl)butanamide?
The canonical SMILES for 4-(propan-2-ylamino)-N-(2-pyrrolidin-1-ylethyl)butanamide is CC(C)NCCCC(=O)NCCN1CCCC1.
What is the InChIKey of 4-(propan-2-ylamino)-N-(2-pyrrolidin-1-ylethyl)butanamide?
The InChIKey is SFMOSASESODETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-12(2)14-7-5-6-13(17)15-8-11-16-9-3-4-10-16/h12,14H,3-11H2,1-2H3,(H,15,17).
What are the key properties of 4-(propan-2-ylamino)-N-(2-pyrrolidin-1-ylethyl)butanamide?
4-(propan-2-ylamino)-N-(2-pyrrolidin-1-ylethyl)butanamide has a molecular weight of 241.38 g/mol, XLogP of 0.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylamino)-N-(2-pyrrolidin-1-ylethyl)butanamide is sourced from PubChem (CID 60850954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).