2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide

C19H30N4O — CID 119142489

IUPAC2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide
SMILESCC(C)c1cccc(N/C(N)=N/CC(=O)N(C)C2CCCCC2)c1
InChIInChI=1S/C19H30N4O/c1-14(2)15-8-7-9-16(12-15)22-19(20)21-13-18(24)23(3)17-10-5-4-6-11-17/h7-9,12,14,17H,4-6,10-11,13H2,1-3H3,(H3,20,21,22)
InChIKeySUDJQGWARJCKIB-UHFFFAOYSA-N
MW330.48 g/mol
LogP3.33
Rot. Bonds5

About 2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide

2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide (PubChem CID 119142489) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide
PubChem CID119142489
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide
SMILESCC(C)c1cccc(N/C(N)=N/CC(=O)N(C)C2CCCCC2)c1
InChIInChI=1S/C19H30N4O/c1-14(2)15-8-7-9-16(12-15)22-19(20)21-13-18(24)23(3)17-10-5-4-6-11-17/h7-9,12,14,17H,4-6,10-11,13H2,1-3H3,(H3,20,21,22)
InChIKeySUDJQGWARJCKIB-UHFFFAOYSA-N
XLogP3.33
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-[[amino-(3-methoxyanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide
CID 119142445
2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111090870
2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide
CID 119142479
3-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N,N-dimethylpropanamide;hydroiodide
CID 111068232
N-[2-[[amino-(3-propan-2-ylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide
CID 111095582
2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N-cyclohexyl-N-methylacetamide
CID 119142469
2-cyclobutyl-1-(3-propan-2-ylphenyl)guanidine
CID 119146737
2-(2-cyclopropylethyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111814614
cyclopentyl 4-[[amino-(3-propan-2-ylanilino)methylidene]amino]butanoate
CID 111810898
2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111099183
2-[(2-hydroxy-1-methylcyclohexyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111751830
methyl 3-[[amino-(3-propan-2-ylanilino)methylidene]amino]propanoate
CID 111063925

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide (CID 119142489) is 2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide is CC(C)c1cccc(N/C(N)=N/CC(=O)N(C)C2CCCCC2)c1.
What is the InChIKey of 2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide?
The InChIKey is SUDJQGWARJCKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-14(2)15-8-7-9-16(12-15)22-19(20)21-13-18(24)23(3)17-10-5-4-6-11-17/h7-9,12,14,17H,4-6,10-11,13H2,1-3H3,(H3,20,21,22).
What are the key properties of 2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide?
2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide has a molecular weight of 330.48 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 119142489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).