2-(cyclopropylmethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide

C13H23N3O — CID 60868335

IUPAC2-(cyclopropylmethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide
SMILESO=C(CNCC1CC1)NC1CCN2CCCC12
InChIInChI=1S/C13H23N3O/c17-13(9-14-8-10-3-4-10)15-11-5-7-16-6-1-2-12(11)16/h10-12,14H,1-9H2,(H,15,17)
InChIKeyDHLBKZSURAUCQV-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.34
Rot. Bonds5

About 2-(cyclopropylmethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide

2-(cyclopropylmethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide (PubChem CID 60868335) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide
PubChem CID60868335
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-(cyclopropylmethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide
SMILESO=C(CNCC1CC1)NC1CCN2CCCC12
InChIInChI=1S/C13H23N3O/c17-13(9-14-8-10-3-4-10)15-11-5-7-16-6-1-2-12(11)16/h10-12,14H,1-9H2,(H,15,17)
InChIKeyDHLBKZSURAUCQV-UHFFFAOYSA-N
XLogP0.34
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide (CID 60868335) is 2-(cyclopropylmethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide is O=C(CNCC1CC1)NC1CCN2CCCC12.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide?
The InChIKey is DHLBKZSURAUCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c17-13(9-14-8-10-3-4-10)15-11-5-7-16-6-1-2-12(11)16/h10-12,14H,1-9H2,(H,15,17).
What are the key properties of 2-(cyclopropylmethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide?
2-(cyclopropylmethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide has a molecular weight of 237.35 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide is sourced from PubChem (CID 60868335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).