1-amino-N-(3-anilinopropyl)cyclopropane-1-carboxamide

C13H19N3O — CID 119867759

IUPAC1-amino-N-(3-anilinopropyl)cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCCCNc2ccccc2)CC1
InChIInChI=1S/C13H19N3O/c14-13(7-8-13)12(17)16-10-4-9-15-11-5-2-1-3-6-11/h1-3,5-6,15H,4,7-10,14H2,(H,16,17)
InChIKeyGEZJXVXGCOIDRG-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.10
Rot. Bonds6

About 1-amino-N-(3-anilinopropyl)cyclopropane-1-carboxamide

1-amino-N-(3-anilinopropyl)cyclopropane-1-carboxamide (PubChem CID 119867759) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-amino-N-(3-anilinopropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(3-anilinopropyl)cyclopropane-1-carboxamide
PubChem CID119867759
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-amino-N-(3-anilinopropyl)cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCCCNc2ccccc2)CC1
InChIInChI=1S/C13H19N3O/c14-13(7-8-13)12(17)16-10-4-9-15-11-5-2-1-3-6-11/h1-3,5-6,15H,4,7-10,14H2,(H,16,17)
InChIKeyGEZJXVXGCOIDRG-UHFFFAOYSA-N
XLogP1.10
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-(3-anilino-3-oxopropyl)cyclopropane-1-carboxamide
CID 119785778
N-(3-anilinopropyl)-1-(3,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 56586470
1-amino-N-phenylcyclopropane-1-carboxamide;hydrochloride
CID 75467843
N-(3-anilinopropyl)-2-phenylacetamide
CID 102467435
1-amino-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopropane-1-carboxamide
CID 119853879
N,N'-diphenylpropane-1,3-diamine;hydrochloride
CID 68721632
1-amino-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 65463974
1-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide
CID 119901973
1-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]cyclopropane-1-carboxamide
CID 119783908
4-anilinobutanamide
CID 67066705
1-amino-N-(3-phenylbutyl)cyclopropane-1-carboxamide
CID 65464091
4-amino-N-(3-anilinopropyl)pentanamide
CID 120565112

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3-anilinopropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(3-anilinopropyl)cyclopropane-1-carboxamide (CID 119867759) is 1-amino-N-(3-anilinopropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(3-anilinopropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(3-anilinopropyl)cyclopropane-1-carboxamide is NC1(C(=O)NCCCNc2ccccc2)CC1.
What is the InChIKey of 1-amino-N-(3-anilinopropyl)cyclopropane-1-carboxamide?
The InChIKey is GEZJXVXGCOIDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-13(7-8-13)12(17)16-10-4-9-15-11-5-2-1-3-6-11/h1-3,5-6,15H,4,7-10,14H2,(H,16,17).
What are the key properties of 1-amino-N-(3-anilinopropyl)cyclopropane-1-carboxamide?
1-amino-N-(3-anilinopropyl)cyclopropane-1-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3-anilinopropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 119867759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).