1-(4-aminophenyl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide

C15H23N3O — CID 112558134

IUPAC1-(4-aminophenyl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide
SMILESCN(C)CCCNC(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C15H23N3O/c1-18(2)11-3-10-17-14(19)15(8-9-15)12-4-6-13(16)7-5-12/h4-7H,3,8-11,16H2,1-2H3,(H,17,19)
InChIKeyOPDVPYNSAZUKJC-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.37
Rot. Bonds6

About 1-(4-aminophenyl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide

1-(4-aminophenyl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide (PubChem CID 112558134) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide
PubChem CID112558134
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(4-aminophenyl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide
SMILESCN(C)CCCNC(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C15H23N3O/c1-18(2)11-3-10-17-14(19)15(8-9-15)12-4-6-13(16)7-5-12/h4-7H,3,8-11,16H2,1-2H3,(H,17,19)
InChIKeyOPDVPYNSAZUKJC-UHFFFAOYSA-N
XLogP1.37
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-N-hexylcyclopropane-1-carboxamide
CID 112558265
N-[3-(dimethylamino)propyl]-1-phenylcyclobutane-1-carboxamide
CID 110437520
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 113198628
1-(4-aminophenyl)-N-(3-propan-2-yloxypropyl)cyclopropane-1-carboxamide
CID 115913536
1-(4-aminophenyl)-N-[3-(methylamino)-3-oxopropyl]cyclopropane-1-carboxamide
CID 112558336
N-[3-(dimethylamino)propyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 110698443
1-(4-aminophenyl)-N-(2-cyclohexylethyl)cyclopropane-1-carboxamide
CID 115913423
3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 115913793
N-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 110437951
1-[[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115913873
1-(4-aminophenyl)-N-(2-methoxypropyl)cyclopropane-1-carboxamide
CID 102695125
1-(4-aminophenyl)-N-methoxycyclopropane-1-carboxamide
CID 112558390

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide (CID 112558134) is 1-(4-aminophenyl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide is CN(C)CCCNC(=O)C1(c2ccc(N)cc2)CC1.
What is the InChIKey of 1-(4-aminophenyl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide?
The InChIKey is OPDVPYNSAZUKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18(2)11-3-10-17-14(19)15(8-9-15)12-4-6-13(16)7-5-12/h4-7H,3,8-11,16H2,1-2H3,(H,17,19).
What are the key properties of 1-(4-aminophenyl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 112558134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).