4-(dipropylamino)-N-(pyrrolidin-2-ylmethyl)butanamide

C15H31N3O — CID 119511522

IUPAC4-(dipropylamino)-N-(pyrrolidin-2-ylmethyl)butanamide
SMILESCCCN(CCC)CCCC(=O)NCC1CCCN1
InChIInChI=1S/C15H31N3O/c1-3-10-18(11-4-2)12-6-8-15(19)17-13-14-7-5-9-16-14/h14,16H,3-13H2,1-2H3,(H,17,19)
InChIKeyZSMOGWMIBXLKOZ-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.76
Rot. Bonds10

About 4-(dipropylamino)-N-(pyrrolidin-2-ylmethyl)butanamide

4-(dipropylamino)-N-(pyrrolidin-2-ylmethyl)butanamide (PubChem CID 119511522) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-(dipropylamino)-N-(pyrrolidin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(dipropylamino)-N-(pyrrolidin-2-ylmethyl)butanamide
PubChem CID119511522
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name4-(dipropylamino)-N-(pyrrolidin-2-ylmethyl)butanamide
SMILESCCCN(CCC)CCCC(=O)NCC1CCCN1
InChIInChI=1S/C15H31N3O/c1-3-10-18(11-4-2)12-6-8-15(19)17-13-14-7-5-9-16-14/h14,16H,3-13H2,1-2H3,(H,17,19)
InChIKeyZSMOGWMIBXLKOZ-UHFFFAOYSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2R)-pyrrolidin-2-yl]methyl]pentanamide;hydrochloride
CID 175666343
N',N'-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanediamide
CID 119514736
N',N'-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanediamide;hydrochloride
CID 119514735
2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119510423
4-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]pent-4-enamide
CID 177056000
2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
CID 71302527
2-propylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119511742
4-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide
CID 11382839
1-butyl-3-(pyrrolidin-2-ylmethyl)urea
CID 62540044
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]dodecanamide
CID 104971837
N-(2-pyrrolidin-2-ylethyl)octanamide
CID 114793852
3-butyl-N-[[(2R)-pyrrolidin-2-yl]methyl]octanamide
CID 70821146

Frequently Asked Questions

What is the IUPAC name of 4-(dipropylamino)-N-(pyrrolidin-2-ylmethyl)butanamide?
The IUPAC name of 4-(dipropylamino)-N-(pyrrolidin-2-ylmethyl)butanamide (CID 119511522) is 4-(dipropylamino)-N-(pyrrolidin-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(dipropylamino)-N-(pyrrolidin-2-ylmethyl)butanamide?
The canonical SMILES for 4-(dipropylamino)-N-(pyrrolidin-2-ylmethyl)butanamide is CCCN(CCC)CCCC(=O)NCC1CCCN1.
What is the InChIKey of 4-(dipropylamino)-N-(pyrrolidin-2-ylmethyl)butanamide?
The InChIKey is ZSMOGWMIBXLKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-3-10-18(11-4-2)12-6-8-15(19)17-13-14-7-5-9-16-14/h14,16H,3-13H2,1-2H3,(H,17,19).
What are the key properties of 4-(dipropylamino)-N-(pyrrolidin-2-ylmethyl)butanamide?
4-(dipropylamino)-N-(pyrrolidin-2-ylmethyl)butanamide has a molecular weight of 269.43 g/mol, XLogP of 1.76, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylamino)-N-(pyrrolidin-2-ylmethyl)butanamide is sourced from PubChem (CID 119511522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).