3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-propan-2-ylpropanamide

C13H25N3O — CID 62623237

IUPAC3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNC1CCN2CCCC12
InChIInChI=1S/C13H25N3O/c1-10(2)15-13(17)5-7-14-11-6-9-16-8-3-4-12(11)16/h10-12,14H,3-9H2,1-2H3,(H,15,17)
InChIKeyDQJHQDBBKLVSOM-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.73
Rot. Bonds5

About 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-propan-2-ylpropanamide

3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-propan-2-ylpropanamide (PubChem CID 62623237) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-propan-2-ylpropanamide
PubChem CID62623237
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNC1CCN2CCCC12
InChIInChI=1S/C13H25N3O/c1-10(2)15-13(17)5-7-14-11-6-9-16-8-3-4-12(11)16/h10-12,14H,3-9H2,1-2H3,(H,15,17)
InChIKeyDQJHQDBBKLVSOM-UHFFFAOYSA-N
XLogP0.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-propan-2-ylpropanamide (CID 62623237) is 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNC1CCN2CCCC12.
What is the InChIKey of 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-propan-2-ylpropanamide?
The InChIKey is DQJHQDBBKLVSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10(2)15-13(17)5-7-14-11-6-9-16-8-3-4-12(11)16/h10-12,14H,3-9H2,1-2H3,(H,15,17).
What are the key properties of 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-propan-2-ylpropanamide?
3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-propan-2-ylpropanamide has a molecular weight of 239.36 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 62623237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).