N-[[4-(diaminomethylideneamino)phenyl]methyl]acetamide

C10H14N4O — CID 59081490

IUPACN-[[4-(diaminomethylideneamino)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(N=C(N)N)cc1
InChIInChI=1S/C10H14N4O/c1-7(15)13-6-8-2-4-9(5-3-8)14-10(11)12/h2-5H,6H2,1H3,(H,13,15)(H4,11,12,14)
InChIKeyAHUIPHOADUNSRL-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.23
Rot. Bonds3

About N-[[4-(diaminomethylideneamino)phenyl]methyl]acetamide

N-[[4-(diaminomethylideneamino)phenyl]methyl]acetamide (PubChem CID 59081490) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is N-[[4-(diaminomethylideneamino)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-(diaminomethylideneamino)phenyl]methyl]acetamide
PubChem CID59081490
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC NameN-[[4-(diaminomethylideneamino)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(N=C(N)N)cc1
InChIInChI=1S/C10H14N4O/c1-7(15)13-6-8-2-4-9(5-3-8)14-10(11)12/h2-5H,6H2,1H3,(H,13,15)(H4,11,12,14)
InChIKeyAHUIPHOADUNSRL-UHFFFAOYSA-N
XLogP0.23
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.23
H-Bond Donors ≤ 53
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

(4-methylphenyl) N-[[4-(diaminomethylideneamino)phenyl]methyl]carbamate
CID 58849415
4-(acetamidomethyl)benzoate
CID 4573914
N-[4-amino-5-[4-(diaminomethylideneamino)phenyl]-2,2-difluoro-3-oxopentyl]acetamide
CID 70069113
N-[(4S)-4-amino-5-[4-(diaminomethylideneamino)phenyl]-2,2-difluoro-3-oxopentyl]acetamide
CID 54212111
N-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 10661107
ethane;N-[(4-ethylphenyl)methyl]acetamide
CID 143474952
N-[(4-iodophenyl)methyl]acetamide
CID 23111624
[4-(acetamidomethyl)phenyl] acetate
CID 15576450
N-[[4-[(E)-3-aminooxyprop-1-enyl]phenyl]methyl]acetamide
CID 171795157
2-[4-[(3S)-3-(methylamino)-4-oxopentyl]phenyl]guanidine
CID 131975215
N-[(4-carbamimidoylphenyl)methyl]acetamide
CID 16744801
4-(acetamidomethyl)benzoyl chloride
CID 13131539

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diaminomethylideneamino)phenyl]methyl]acetamide?
The IUPAC name of N-[[4-(diaminomethylideneamino)phenyl]methyl]acetamide (CID 59081490) is N-[[4-(diaminomethylideneamino)phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-(diaminomethylideneamino)phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-(diaminomethylideneamino)phenyl]methyl]acetamide is CC(=O)NCc1ccc(N=C(N)N)cc1.
What is the InChIKey of N-[[4-(diaminomethylideneamino)phenyl]methyl]acetamide?
The InChIKey is AHUIPHOADUNSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-7(15)13-6-8-2-4-9(5-3-8)14-10(11)12/h2-5H,6H2,1H3,(H,13,15)(H4,11,12,14).
What are the key properties of N-[[4-(diaminomethylideneamino)phenyl]methyl]acetamide?
N-[[4-(diaminomethylideneamino)phenyl]methyl]acetamide has a molecular weight of 206.25 g/mol, XLogP of 0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diaminomethylideneamino)phenyl]methyl]acetamide is sourced from PubChem (CID 59081490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).