N-pentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide

C15H31N3O — CID 61473930

IUPACN-pentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide
SMILESCCCCCNC(=O)C(C)NC(C)CN1CCCC1
InChIInChI=1S/C15H31N3O/c1-4-5-6-9-16-15(19)14(3)17-13(2)12-18-10-7-8-11-18/h13-14,17H,4-12H2,1-3H3,(H,16,19)
InChIKeyXUYJLNLFRLIXBF-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.76
Rot. Bonds9

About N-pentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide

N-pentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide (PubChem CID 61473930) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-pentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-pentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide
PubChem CID61473930
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-pentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide
SMILESCCCCCNC(=O)C(C)NC(C)CN1CCCC1
InChIInChI=1S/C15H31N3O/c1-4-5-6-9-16-15(19)14(3)17-13(2)12-18-10-7-8-11-18/h13-14,17H,4-12H2,1-3H3,(H,16,19)
InChIKeyXUYJLNLFRLIXBF-UHFFFAOYSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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

N-ethyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide
CID 61473966
N-pentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide
CID 60721100
1-butyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
CID 115590501
2-(octan-2-ylamino)-N-pentylpropanamide
CID 61476673
N-butyl-2-(heptan-2-ylamino)propanamide
CID 54950626
5-methyl-N-octyl-6-piperidin-1-ylhexanamide
CID 166830239
N-(1-piperidin-1-ylpropan-2-yl)hexan-1-amine
CID 43749038
2-(pent-4-en-2-ylamino)-N-pentylpropanamide
CID 115632132
N-(methylcarbamoyl)-2-(1-piperidin-1-ylpropan-2-ylamino)propanamide
CID 61499941
1-propyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
CID 115590520
1-butyl-3-(1-piperidin-1-ylpropan-2-yl)thiourea
CID 113224004
2-[[(1R)-1-cycloheptylethyl]amino]-N-pentylpropanamide
CID 81392391

Frequently Asked Questions

What is the IUPAC name of N-pentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide?
The IUPAC name of N-pentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide (CID 61473930) is N-pentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide.
What is the SMILES notation for N-pentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide?
The canonical SMILES for N-pentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide is CCCCCNC(=O)C(C)NC(C)CN1CCCC1.
What is the InChIKey of N-pentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide?
The InChIKey is XUYJLNLFRLIXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-5-6-9-16-15(19)14(3)17-13(2)12-18-10-7-8-11-18/h13-14,17H,4-12H2,1-3H3,(H,16,19).
What are the key properties of N-pentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide?
N-pentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide has a molecular weight of 269.43 g/mol, XLogP of 1.76, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide is sourced from PubChem (CID 61473930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).