4-[[[amino(butylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide

C15H24N4O — CID 111040921

IUPAC4-[[[amino(butylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide
SMILESCCCCN/C(N)=N/Cc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C15H24N4O/c1-4-5-10-17-15(16)18-11-12-6-8-13(9-7-12)14(20)19(2)3/h6-9H,4-5,10-11H2,1-3H3,(H3,16,17,18)
InChIKeyNYFBSKOXAJOULZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.59
Rot. Bonds6

About 4-[[[amino(butylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide

4-[[[amino(butylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide (PubChem CID 111040921) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[[[amino(butylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[[amino(butylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide
PubChem CID111040921
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-[[[amino(butylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide
SMILESCCCCN/C(N)=N/Cc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C15H24N4O/c1-4-5-10-17-15(16)18-11-12-6-8-13(9-7-12)14(20)19(2)3/h6-9H,4-5,10-11H2,1-3H3,(H3,16,17,18)
InChIKeyNYFBSKOXAJOULZ-UHFFFAOYSA-N
XLogP1.59
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

4-[[[amino(butylamino)methylidene]amino]methyl]-N-butylbenzamide
CID 111070772
4-[[[amino(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide
CID 111041011
4-[[[amino(butylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111048357
4-[[[amino-(3-methylbutylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide
CID 111040919
1-butyl-2-[[4-(dimethylamino)phenyl]methyl]guanidine;hydroiodide
CID 111033123
1-butyl-2-[[4-(methoxymethyl)phenyl]methyl]guanidine
CID 111053813
2-[[4-(dimethylamino)phenyl]methyl]-1-hexylguanidine
CID 111033144
1-butyl-2-[(4-methylsulfinylphenyl)methyl]guanidine
CID 111859665
4-[[[amino-(hexylamino)methylidene]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydroiodide
CID 111048575
N-[4-[[[amino(butylamino)methylidene]amino]methyl]phenyl]-2-methylpropanamide
CID 111040426
4-[[[amino-(cyclopropylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 110914653
4-[[[amino-(4-ethylanilino)methylidene]amino]methyl]-N-butylbenzamide
CID 111070804

Frequently Asked Questions

What is the IUPAC name of 4-[[[amino(butylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[[amino(butylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide (CID 111040921) is 4-[[[amino(butylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[[amino(butylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[[amino(butylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide is CCCCN/C(N)=N/Cc1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of 4-[[[amino(butylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide?
The InChIKey is NYFBSKOXAJOULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-4-5-10-17-15(16)18-11-12-6-8-13(9-7-12)14(20)19(2)3/h6-9H,4-5,10-11H2,1-3H3,(H3,16,17,18).
What are the key properties of 4-[[[amino(butylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide?
4-[[[amino(butylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[amino(butylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 111040921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).