3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)propanamide

C13H25N3O — CID 60843500

IUPAC3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)propanamide
SMILESO=C(CCNC1CC1)NCCCN1CCCC1
InChIInChI=1S/C13H25N3O/c17-13(6-8-14-12-4-5-12)15-7-3-11-16-9-1-2-10-16/h12,14H,1-11H2,(H,15,17)
InChIKeyNKRGYRVIEONZGN-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.73
Rot. Bonds8

About 3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)propanamide

3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)propanamide (PubChem CID 60843500) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)propanamide
PubChem CID60843500
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)propanamide
SMILESO=C(CCNC1CC1)NCCCN1CCCC1
InChIInChI=1S/C13H25N3O/c17-13(6-8-14-12-4-5-12)15-7-3-11-16-9-1-2-10-16/h12,14H,1-11H2,(H,15,17)
InChIKeyNKRGYRVIEONZGN-UHFFFAOYSA-N
XLogP0.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 60843562
1-cyclopropyl-3-(3-piperidin-1-ylpropyl)urea
CID 55457976
N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 60668593
3-chloro-N-(3-piperidin-1-ylpropyl)propanamide
CID 43346643
N-(3-aminopropyl)-3-(cyclopropylamino)propanamide
CID 61275861
N-[5-(azocan-1-yl)pentyl]cyclopropanamine
CID 55070436
5-oxo-5-(3-piperidin-1-ylpropylamino)pentanoic acid
CID 43579827
3-(tert-butylamino)-N-(3-piperidin-1-ylpropyl)propanamide
CID 60851294
2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride
CID 119835575
N-butyl-3-(cyclopentylamino)propanamide
CID 109012177
4-(3-piperidin-1-ylpropylamino)piperidine-1-carboxylic acid
CID 118140402
N-(2-pyrrolidin-1-ylethyl)cyclopropanamine
CID 54773109

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)propanamide (CID 60843500) is 3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)propanamide is O=C(CCNC1CC1)NCCCN1CCCC1.
What is the InChIKey of 3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)propanamide?
The InChIKey is NKRGYRVIEONZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c17-13(6-8-14-12-4-5-12)15-7-3-11-16-9-1-2-10-16/h12,14H,1-11H2,(H,15,17).
What are the key properties of 3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)propanamide?
3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)propanamide has a molecular weight of 239.36 g/mol, XLogP of 0.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)propanamide is sourced from PubChem (CID 60843500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).