1-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]-3-(cyclopropylmethyl)urea

C15H19N5O — CID 137376594

IUPAC1-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]-3-(cyclopropylmethyl)urea
SMILESCN(C)/C=N/c1ccc(NC(=O)NCC2CC2)cc1C#N
InChIInChI=1S/C15H19N5O/c1-20(2)10-18-14-6-5-13(7-12(14)8-16)19-15(21)17-9-11-3-4-11/h5-7,10-11H,3-4,9H2,1-2H3,(H2,17,19,21)/b18-10+
InChIKeyXQEOIEZSGARDEL-VCHYOVAHSA-N
MW285.35 g/mol
LogP2.31
Rot. Bonds5

About 1-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]-3-(cyclopropylmethyl)urea

1-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]-3-(cyclopropylmethyl)urea (PubChem CID 137376594) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]-3-(cyclopropylmethyl)urea.

Molecular Properties

Compound Name1-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]-3-(cyclopropylmethyl)urea
PubChem CID137376594
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]-3-(cyclopropylmethyl)urea
SMILESCN(C)/C=N/c1ccc(NC(=O)NCC2CC2)cc1C#N
InChIInChI=1S/C15H19N5O/c1-20(2)10-18-14-6-5-13(7-12(14)8-16)19-15(21)17-9-11-3-4-11/h5-7,10-11H,3-4,9H2,1-2H3,(H2,17,19,21)/b18-10+
InChIKeyXQEOIEZSGARDEL-VCHYOVAHSA-N
XLogP2.31
TPSA80.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]-3-(methylamino)urea
CID 143466051
N-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]-3-(2-methylcyclohexyl)propanamide
CID 163750506
3-[[3-cyano-4-(dimethylaminomethylideneamino)phenyl]carbamoyl]pentan-3-yl dihydrogen phosphate
CID 175431765
N-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]morpholine-2-carboxamide
CID 175306291
1-(3-cyanophenyl)-3-(cyclopropylmethyl)urea
CID 47195799
tert-butyl 3-[(E)-3-[3-cyano-4-(dimethylaminomethylideneamino)anilino]-3-oxoprop-1-enyl]morpholine-4-carboxylate
CID 155660833
1-(cyclopropylmethyl)-3-(3,5-dimethylphenyl)urea
CID 5188255
1-(3-cyanophenyl)-3-[(1-methylpiperidin-4-yl)methyl]urea
CID 51106201
1-(1,3-benzodioxol-5-yl)-3-(cyclopropylmethyl)urea
CID 47152145
1-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3-(3,4-dimethylphenyl)urea
CID 121108998
1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)urea
CID 67194486
1-(cyclopropylmethyl)-3-(4-iodophenyl)urea
CID 47032047

Frequently Asked Questions

What is the IUPAC name of 1-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]-3-(cyclopropylmethyl)urea?
The IUPAC name of 1-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]-3-(cyclopropylmethyl)urea (CID 137376594) is 1-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]-3-(cyclopropylmethyl)urea.
What is the SMILES notation for 1-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]-3-(cyclopropylmethyl)urea?
The canonical SMILES for 1-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]-3-(cyclopropylmethyl)urea is CN(C)/C=N/c1ccc(NC(=O)NCC2CC2)cc1C#N.
What is the InChIKey of 1-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]-3-(cyclopropylmethyl)urea?
The InChIKey is XQEOIEZSGARDEL-VCHYOVAHSA-N. The full InChI is InChI=1S/C15H19N5O/c1-20(2)10-18-14-6-5-13(7-12(14)8-16)19-15(21)17-9-11-3-4-11/h5-7,10-11H,3-4,9H2,1-2H3,(H2,17,19,21)/b18-10+.
What are the key properties of 1-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]-3-(cyclopropylmethyl)urea?
1-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]-3-(cyclopropylmethyl)urea has a molecular weight of 285.35 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]-3-(cyclopropylmethyl)urea is sourced from PubChem (CID 137376594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).