4-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]-N-methylbenzamide

C14H20N4O — CID 110029864

IUPAC4-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(C/N=C(\N)N(C)C2CC2)cc1
InChIInChI=1S/C14H20N4O/c1-16-13(19)11-5-3-10(4-6-11)9-17-14(15)18(2)12-7-8-12/h3-6,12H,7-9H2,1-2H3,(H2,15,17)(H,16,19)
InChIKeyNLTYLQDQZXVRDJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.96
Rot. Bonds4

About 4-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]-N-methylbenzamide

4-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]-N-methylbenzamide (PubChem CID 110029864) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]-N-methylbenzamide
PubChem CID110029864
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(C/N=C(\N)N(C)C2CC2)cc1
InChIInChI=1S/C14H20N4O/c1-16-13(19)11-5-3-10(4-6-11)9-17-14(15)18(2)12-7-8-12/h3-6,12H,7-9H2,1-2H3,(H2,15,17)(H,16,19)
InChIKeyNLTYLQDQZXVRDJ-UHFFFAOYSA-N
XLogP0.96
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.96
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

ethyl 4-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]benzoate
CID 110030507
2-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110029377
1-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1-methylguanidine
CID 110029396
1-cyclopropyl-1-methyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 110029615
1-cyclopropyl-1-methyl-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110029707
1-cyclopropyl-1-methyl-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 110029931
4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide
CID 111048452
1-cyclopropyl-2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-methylguanidine;hydroiodide
CID 110029841
1-cyclopropyl-1-methyl-2-(pyridin-3-ylmethyl)guanidine
CID 110029384
4-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-N-methylbenzamide
CID 55141226
4-[[[amino(propylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111048363
1-cyclopropyl-2-[(6-methoxynaphthalen-2-yl)methyl]-1-methylguanidine;hydroiodide
CID 110029683

Frequently Asked Questions

What is the IUPAC name of 4-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]-N-methylbenzamide (CID 110029864) is 4-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(C/N=C(\N)N(C)C2CC2)cc1.
What is the InChIKey of 4-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]-N-methylbenzamide?
The InChIKey is NLTYLQDQZXVRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-16-13(19)11-5-3-10(4-6-11)9-17-14(15)18(2)12-7-8-12/h3-6,12H,7-9H2,1-2H3,(H2,15,17)(H,16,19).
What are the key properties of 4-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]-N-methylbenzamide?
4-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]-N-methylbenzamide has a molecular weight of 260.34 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 110029864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).