N-pentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide

C15H31N3O — CID 60721100

IUPACN-pentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide
SMILESCCCCCNC(=O)C(C)NCCCN1CCCC1
InChIInChI=1S/C15H31N3O/c1-3-4-5-9-17-15(19)14(2)16-10-8-13-18-11-6-7-12-18/h14,16H,3-13H2,1-2H3,(H,17,19)
InChIKeyXJZFAYLFBBADSP-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.76
Rot. Bonds10

About N-pentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide

N-pentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide (PubChem CID 60721100) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-pentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide.

Molecular Properties

Compound NameN-pentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide
PubChem CID60721100
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-pentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide
SMILESCCCCCNC(=O)C(C)NCCCN1CCCC1
InChIInChI=1S/C15H31N3O/c1-3-4-5-9-17-15(19)14(2)16-10-8-13-18-11-6-7-12-18/h14,16H,3-13H2,1-2H3,(H,17,19)
InChIKeyXJZFAYLFBBADSP-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

Computed Properties (RDKit)

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

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Related Compounds

1-octadecyl-3-(3-piperidin-1-ylpropyl)urea
CID 139652296
N-tert-butyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide
CID 60677024
N-pentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide
CID 61473930
1-pentyl-3-(6-piperidin-1-ylhexyl)urea
CID 58599050
2-(3-piperidin-1-ylpropylamino)propanoic acid
CID 66172280
(2S)-N-cyclopentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide
CID 94827893
methanesulfonic acid;1-undecylpyrrolidine
CID 175583381
methanesulfonic acid;1-nonylpyrrolidine
CID 175874971
N-[5-(azepan-1-yl)pentyl]-2-methylpropanamide
CID 110441883
1-decylpiperidine;methanesulfonic acid
CID 175874627
2-methyl-1-pentyl-3-(3-pyrrolidin-1-ylpropyl)guanidine
CID 111129806
2-(3-methoxypropylamino)-N-pentylpropanamide
CID 43131874

Frequently Asked Questions

What is the IUPAC name of N-pentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide?
The IUPAC name of N-pentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide (CID 60721100) is N-pentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide.
What is the SMILES notation for N-pentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide?
The canonical SMILES for N-pentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide is CCCCCNC(=O)C(C)NCCCN1CCCC1.
What is the InChIKey of N-pentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide?
The InChIKey is XJZFAYLFBBADSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-3-4-5-9-17-15(19)14(2)16-10-8-13-18-11-6-7-12-18/h14,16H,3-13H2,1-2H3,(H,17,19).
What are the key properties of N-pentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide?
N-pentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide 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 N-pentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide is sourced from PubChem (CID 60721100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).