2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-propylpropanamide

C12H25N3O — CID 112630167

IUPAC2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N1CCC(C(C)N)C1
InChIInChI=1S/C12H25N3O/c1-4-6-14-12(16)10(3)15-7-5-11(8-15)9(2)13/h9-11H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyZVKQWJXRPNIQPE-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.57
Rot. Bonds5

About 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-propylpropanamide

2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-propylpropanamide (PubChem CID 112630167) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-propylpropanamide.

Molecular Properties

Compound Name2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-propylpropanamide
PubChem CID112630167
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N1CCC(C(C)N)C1
InChIInChI=1S/C12H25N3O/c1-4-6-14-12(16)10(3)15-7-5-11(8-15)9(2)13/h9-11H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyZVKQWJXRPNIQPE-UHFFFAOYSA-N
XLogP0.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-carbamoylpropanamide
CID 112630191
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutyl)propanamide
CID 55258927
2-[4-(1-aminoethyl)piperidin-1-yl]-N-pentylpropanamide
CID 63596247
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-propylpropanamide
CID 114802599
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 112630269
2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-propylpropanamide
CID 80553139
2-(3-aminopyrrolidin-1-yl)-N-butylpropanamide
CID 62068647
2-[3-(1-aminoethyl)piperidin-1-yl]-N-butan-2-ylpropanamide;hydrochloride
CID 119925653
2-[1-[1-oxo-1-(propylamino)propan-2-yl]piperidin-4-yl]acetic acid
CID 79609150
(2S)-2-piperidin-1-yl-N-propylpropanamide
CID 95274593
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-propylpropanamide;hydrochloride
CID 119928199
2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-N-propylpropanamide
CID 63847727

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-propylpropanamide?
The IUPAC name of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-propylpropanamide (CID 112630167) is 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-propylpropanamide.
What is the SMILES notation for 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-propylpropanamide?
The canonical SMILES for 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-propylpropanamide is CCCNC(=O)C(C)N1CCC(C(C)N)C1.
What is the InChIKey of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-propylpropanamide?
The InChIKey is ZVKQWJXRPNIQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-6-14-12(16)10(3)15-7-5-11(8-15)9(2)13/h9-11H,4-8,13H2,1-3H3,(H,14,16).
What are the key properties of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-propylpropanamide?
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-propylpropanamide has a molecular weight of 227.35 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-propylpropanamide is sourced from PubChem (CID 112630167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).