1-(4-aminophenyl)-N,N-bis(2-cyanoethyl)cyclopropane-1-carboxamide

C16H18N4O — CID 115913473

IUPAC1-(4-aminophenyl)-N,N-bis(2-cyanoethyl)cyclopropane-1-carboxamide
SMILESN#CCCN(CCC#N)C(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C16H18N4O/c17-9-1-11-20(12-2-10-18)15(21)16(7-8-16)13-3-5-14(19)6-4-13/h3-6H,1-2,7-8,11-12,19H2
InChIKeyMMQWJLNRHYTVON-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.96
Rot. Bonds6

About 1-(4-aminophenyl)-N,N-bis(2-cyanoethyl)cyclopropane-1-carboxamide

1-(4-aminophenyl)-N,N-bis(2-cyanoethyl)cyclopropane-1-carboxamide (PubChem CID 115913473) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N,N-bis(2-cyanoethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N,N-bis(2-cyanoethyl)cyclopropane-1-carboxamide
PubChem CID115913473
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name1-(4-aminophenyl)-N,N-bis(2-cyanoethyl)cyclopropane-1-carboxamide
SMILESN#CCCN(CCC#N)C(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C16H18N4O/c17-9-1-11-20(12-2-10-18)15(21)16(7-8-16)13-3-5-14(19)6-4-13/h3-6H,1-2,7-8,11-12,19H2
InChIKeyMMQWJLNRHYTVON-UHFFFAOYSA-N
XLogP1.96
TPSA93.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 112558286
1-(4-aminophenyl)-N,N-bis(prop-2-enyl)cyclopropane-1-carboxamide
CID 112558169
1-(4-aminophenyl)-N-ethyl-N-prop-2-ynylcyclopropane-1-carboxamide
CID 112558429
1-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide
CID 115913375
2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid
CID 115913657
1-(4-aminophenyl)-N-(2-ethoxyethyl)-N-methylcyclopropane-1-carboxamide
CID 112558421
1-(4-aminophenyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 155970614
1-(4-aminophenyl)-N-cyclohexyl-N-ethylcyclopropane-1-carboxamide
CID 115913190
2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid
CID 115913638
1-(4-aminophenyl)-N-cyclohexyl-N-methylcyclopropane-1-carboxamide
CID 115913184
[1-(4-aminophenyl)cyclopropyl]-(3-chlorothiophen-2-yl)methanone
CID 107361566
1-[1-(4-aminophenyl)cyclopropyl]-2-ethylbutan-1-one
CID 116611814

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N,N-bis(2-cyanoethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N,N-bis(2-cyanoethyl)cyclopropane-1-carboxamide (CID 115913473) is 1-(4-aminophenyl)-N,N-bis(2-cyanoethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N,N-bis(2-cyanoethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N,N-bis(2-cyanoethyl)cyclopropane-1-carboxamide is N#CCCN(CCC#N)C(=O)C1(c2ccc(N)cc2)CC1.
What is the InChIKey of 1-(4-aminophenyl)-N,N-bis(2-cyanoethyl)cyclopropane-1-carboxamide?
The InChIKey is MMQWJLNRHYTVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c17-9-1-11-20(12-2-10-18)15(21)16(7-8-16)13-3-5-14(19)6-4-13/h3-6H,1-2,7-8,11-12,19H2.
What are the key properties of 1-(4-aminophenyl)-N,N-bis(2-cyanoethyl)cyclopropane-1-carboxamide?
1-(4-aminophenyl)-N,N-bis(2-cyanoethyl)cyclopropane-1-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N,N-bis(2-cyanoethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115913473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).