2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide

C12H23N3O — CID 60843562

IUPAC2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide
SMILESO=C(CNC1CC1)NCCCN1CCCC1
InChIInChI=1S/C12H23N3O/c16-12(10-14-11-4-5-11)13-6-3-9-15-7-1-2-8-15/h11,14H,1-10H2,(H,13,16)
InChIKeyFFPHJTABPSKGMO-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.34
Rot. Bonds7

About 2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide

2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide (PubChem CID 60843562) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide
PubChem CID60843562
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide
SMILESO=C(CNC1CC1)NCCCN1CCCC1
InChIInChI=1S/C12H23N3O/c16-12(10-14-11-4-5-11)13-6-3-9-15-7-1-2-8-15/h11,14H,1-10H2,(H,13,16)
InChIKeyFFPHJTABPSKGMO-UHFFFAOYSA-N
XLogP0.34
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.34
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

3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 60843500
2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride
CID 119835575
1-cyclopropyl-3-(3-piperidin-1-ylpropyl)urea
CID 55457976
2-(methylamino)-N-(3-piperidin-1-ylpropyl)acetamide
CID 43362949
N-butyl-2-(cyclopropylamino)acetamide
CID 54773122
N-[5-(azocan-1-yl)pentyl]cyclopropanamine
CID 55070436
2-(cyclopropylamino)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 115761179
N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 60668593
3-pyrrolidin-1-ylpropylcarbamic acid
CID 67998404
3-chloro-N-(3-piperidin-1-ylpropyl)propanamide
CID 43346643
4-(3-piperidin-1-ylpropylamino)piperidine-1-carboxylic acid
CID 118140402
2-(cyclopentylamino)-N-(3-methylsulfonylpropyl)acetamide
CID 54904868

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide (CID 60843562) is 2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide is O=C(CNC1CC1)NCCCN1CCCC1.
What is the InChIKey of 2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide?
The InChIKey is FFPHJTABPSKGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c16-12(10-14-11-4-5-11)13-6-3-9-15-7-1-2-8-15/h11,14H,1-10H2,(H,13,16).
What are the key properties of 2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide?
2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide has a molecular weight of 225.34 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide is sourced from PubChem (CID 60843562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).