1-[(Z)-N'-hydroxycarbamimidoyl]-N-[3-(N-methylanilino)propyl]cyclopropane-1-carboxamide

C15H22N4O2 — CID 80593151

IUPAC1-[(Z)-N'-hydroxycarbamimidoyl]-N-[3-(N-methylanilino)propyl]cyclopropane-1-carboxamide
SMILESCN(CCCNC(=O)C1(/C(N)=N/O)CC1)c1ccccc1
InChIInChI=1S/C15H22N4O2/c1-19(12-6-3-2-4-7-12)11-5-10-17-14(20)15(8-9-15)13(16)18-21/h2-4,6-7,21H,5,8-11H2,1H3,(H2,16,18)(H,17,20)
InChIKeyKXGGFCDAURAXJD-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.16
Rot. Bonds7

About 1-[(Z)-N'-hydroxycarbamimidoyl]-N-[3-(N-methylanilino)propyl]cyclopropane-1-carboxamide

1-[(Z)-N'-hydroxycarbamimidoyl]-N-[3-(N-methylanilino)propyl]cyclopropane-1-carboxamide (PubChem CID 80593151) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[(Z)-N'-hydroxycarbamimidoyl]-N-[3-(N-methylanilino)propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[(Z)-N'-hydroxycarbamimidoyl]-N-[3-(N-methylanilino)propyl]cyclopropane-1-carboxamide
PubChem CID80593151
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-[(Z)-N'-hydroxycarbamimidoyl]-N-[3-(N-methylanilino)propyl]cyclopropane-1-carboxamide
SMILESCN(CCCNC(=O)C1(/C(N)=N/O)CC1)c1ccccc1
InChIInChI=1S/C15H22N4O2/c1-19(12-6-3-2-4-7-12)11-5-10-17-14(20)15(8-9-15)13(16)18-21/h2-4,6-7,21H,5,8-11H2,1H3,(H2,16,18)(H,17,20)
InChIKeyKXGGFCDAURAXJD-UHFFFAOYSA-N
XLogP1.16
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119831631
1-(N'-hydroxycarbamimidoyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclopropane-1-carboxamide
CID 114139858
N-[3-(dimethylamino)propyl]-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide
CID 76919736
1-(N'-hydroxycarbamimidoyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide
CID 106041260
N-[4-(dimethylamino)butyl]-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide
CID 76929669
N-decyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80593590
1-(N'-hydroxycarbamimidoyl)-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 76920459
2-[methyl-[3-(N-methylanilino)propylcarbamoyl]amino]acetic acid
CID 43135762
1-(N'-hydroxycarbamimidoyl)-N-(5-methylhexyl)cyclopropane-1-carboxamide
CID 115326796
3-amino-N-[3-(N-methylanilino)propyl]butanamide
CID 60835666
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
N-[2-(2-fluorophenyl)ethyl]-1-[(E)-N'-hydroxycarbamimidoyl]cyclopropane-1-carboxamide
CID 80591512

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-N'-hydroxycarbamimidoyl]-N-[3-(N-methylanilino)propyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[(Z)-N'-hydroxycarbamimidoyl]-N-[3-(N-methylanilino)propyl]cyclopropane-1-carboxamide (CID 80593151) is 1-[(Z)-N'-hydroxycarbamimidoyl]-N-[3-(N-methylanilino)propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[(Z)-N'-hydroxycarbamimidoyl]-N-[3-(N-methylanilino)propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[(Z)-N'-hydroxycarbamimidoyl]-N-[3-(N-methylanilino)propyl]cyclopropane-1-carboxamide is CN(CCCNC(=O)C1(/C(N)=N/O)CC1)c1ccccc1.
What is the InChIKey of 1-[(Z)-N'-hydroxycarbamimidoyl]-N-[3-(N-methylanilino)propyl]cyclopropane-1-carboxamide?
The InChIKey is KXGGFCDAURAXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-19(12-6-3-2-4-7-12)11-5-10-17-14(20)15(8-9-15)13(16)18-21/h2-4,6-7,21H,5,8-11H2,1H3,(H2,16,18)(H,17,20).
What are the key properties of 1-[(Z)-N'-hydroxycarbamimidoyl]-N-[3-(N-methylanilino)propyl]cyclopropane-1-carboxamide?
1-[(Z)-N'-hydroxycarbamimidoyl]-N-[3-(N-methylanilino)propyl]cyclopropane-1-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-N'-hydroxycarbamimidoyl]-N-[3-(N-methylanilino)propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 80593151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).