N'-propyl-N'-pyrrolidin-3-ylpropanediamide

C10H19N3O2 — CID 119533204

IUPACN'-propyl-N'-pyrrolidin-3-ylpropanediamide
SMILESCCCN(C(=O)CC(N)=O)C1CCNC1
InChIInChI=1S/C10H19N3O2/c1-2-5-13(8-3-4-12-7-8)10(15)6-9(11)14/h8,12H,2-7H2,1H3,(H2,11,14)
InChIKeyZKXNKJTUVHDIFK-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.54
Rot. Bonds5

About N'-propyl-N'-pyrrolidin-3-ylpropanediamide

N'-propyl-N'-pyrrolidin-3-ylpropanediamide (PubChem CID 119533204) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N'-propyl-N'-pyrrolidin-3-ylpropanediamide.

Molecular Properties

Compound NameN'-propyl-N'-pyrrolidin-3-ylpropanediamide
PubChem CID119533204
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN'-propyl-N'-pyrrolidin-3-ylpropanediamide
SMILESCCCN(C(=O)CC(N)=O)C1CCNC1
InChIInChI=1S/C10H19N3O2/c1-2-5-13(8-3-4-12-7-8)10(15)6-9(11)14/h8,12H,2-7H2,1H3,(H2,11,14)
InChIKeyZKXNKJTUVHDIFK-UHFFFAOYSA-N
XLogP-0.54
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 82177257
3,4-dimethyl-N-propyl-N-pyrrolidin-3-ylpentanamide
CID 119533162
3-cyclopropyl-1-propyl-1-pyrrolidin-3-ylurea
CID 62699859
2-(2-ethoxyethoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119530470
5-methoxy-N-propyl-N-pyrrolidin-3-ylpentanamide
CID 119531804
1-methyl-N-propyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide
CID 119533022
N-propyl-2-pyrrolidin-2-yl-N-pyrrolidin-3-ylacetamide
CID 122080444
4-(carbamoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119530230
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 122080455
3-ethyl-4-methyl-N-propyl-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119530049
3-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530419
3,3-dimethyl-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]butanamide;hydrochloride
CID 119531548

Frequently Asked Questions

What is the IUPAC name of N'-propyl-N'-pyrrolidin-3-ylpropanediamide?
The IUPAC name of N'-propyl-N'-pyrrolidin-3-ylpropanediamide (CID 119533204) is N'-propyl-N'-pyrrolidin-3-ylpropanediamide.
What is the SMILES notation for N'-propyl-N'-pyrrolidin-3-ylpropanediamide?
The canonical SMILES for N'-propyl-N'-pyrrolidin-3-ylpropanediamide is CCCN(C(=O)CC(N)=O)C1CCNC1.
What is the InChIKey of N'-propyl-N'-pyrrolidin-3-ylpropanediamide?
The InChIKey is ZKXNKJTUVHDIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-2-5-13(8-3-4-12-7-8)10(15)6-9(11)14/h8,12H,2-7H2,1H3,(H2,11,14).
What are the key properties of N'-propyl-N'-pyrrolidin-3-ylpropanediamide?
N'-propyl-N'-pyrrolidin-3-ylpropanediamide has a molecular weight of 213.28 g/mol, XLogP of -0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propyl-N'-pyrrolidin-3-ylpropanediamide is sourced from PubChem (CID 119533204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).