[4-[[[amino-[[amino(dimethylamino)methylidene]amino]methylidene]amino]methyl]phenyl] N,N-diethylcarbamate

C16H26N6O2 — CID 66687048

IUPAC[4-[[[amino-[[amino(dimethylamino)methylidene]amino]methylidene]amino]methyl]phenyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc(C/N=C(\N)N=C(N)N(C)C)cc1
InChIInChI=1S/C16H26N6O2/c1-5-22(6-2)16(23)24-13-9-7-12(8-10-13)11-19-14(17)20-15(18)21(3)4/h7-10H,5-6,11H2,1-4H3,(H4,17,18,19,20)
InChIKeyNLPCEHFLAFJBMW-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.22
Rot. Bonds5

About [4-[[[amino-[[amino(dimethylamino)methylidene]amino]methylidene]amino]methyl]phenyl] N,N-diethylcarbamate

[4-[[[amino-[[amino(dimethylamino)methylidene]amino]methylidene]amino]methyl]phenyl] N,N-diethylcarbamate (PubChem CID 66687048) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is [4-[[[amino-[[amino(dimethylamino)methylidene]amino]methylidene]amino]methyl]phenyl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[4-[[[amino-[[amino(dimethylamino)methylidene]amino]methylidene]amino]methyl]phenyl] N,N-diethylcarbamate
PubChem CID66687048
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC Name[4-[[[amino-[[amino(dimethylamino)methylidene]amino]methylidene]amino]methyl]phenyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc(C/N=C(\N)N=C(N)N(C)C)cc1
InChIInChI=1S/C16H26N6O2/c1-5-22(6-2)16(23)24-13-9-7-12(8-10-13)11-19-14(17)20-15(18)21(3)4/h7-10H,5-6,11H2,1-4H3,(H4,17,18,19,20)
InChIKeyNLPCEHFLAFJBMW-UHFFFAOYSA-N
XLogP1.22
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.22
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

(4-benzylphenyl) N,N-diethylcarbamate
CID 22414998
2-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-1,1-diethylguanidine
CID 111100929
4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]-N,N-diethylbenzamide;hydroiodide
CID 111048251
1,1-dimethyl-2-[N'-(pyridin-3-ylmethyl)carbamimidoyl]guanidine;hydrochloride
CID 140599394
1,1-diethyl-2-[[4-(2-methoxyphenoxy)phenyl]methyl]guanidine
CID 111808570
1,1-diethyl-2-[(4-methylsulfanylphenyl)methyl]guanidine;hydroiodide
CID 111079356
2-[(4-chlorophenyl)methyl]-1,1-diethylguanidine;hydroiodide
CID 111022759
1,1-dimethyl-2-[N'-[(4-methyl-1H-pyrrol-3-yl)methyl]carbamimidoyl]guanidine
CID 123690358
2-[N'-[2-(4-fluorophenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine
CID 118466379
1-methyl-2-[N'-[(4-methylphenyl)methyl]carbamimidoyl]-1-octylguanidine;hydrochloride
CID 86657144
2-[(4-tert-butylphenyl)methyl]-1,1-diethylguanidine;hydroiodide
CID 111045461
4-[[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]methyl]-N,N-diethylbenzamide
CID 111048294

Frequently Asked Questions

What is the IUPAC name of [4-[[[amino-[[amino(dimethylamino)methylidene]amino]methylidene]amino]methyl]phenyl] N,N-diethylcarbamate?
The IUPAC name of [4-[[[amino-[[amino(dimethylamino)methylidene]amino]methylidene]amino]methyl]phenyl] N,N-diethylcarbamate (CID 66687048) is [4-[[[amino-[[amino(dimethylamino)methylidene]amino]methylidene]amino]methyl]phenyl] N,N-diethylcarbamate.
What is the SMILES notation for [4-[[[amino-[[amino(dimethylamino)methylidene]amino]methylidene]amino]methyl]phenyl] N,N-diethylcarbamate?
The canonical SMILES for [4-[[[amino-[[amino(dimethylamino)methylidene]amino]methylidene]amino]methyl]phenyl] N,N-diethylcarbamate is CCN(CC)C(=O)Oc1ccc(C/N=C(\N)N=C(N)N(C)C)cc1.
What is the InChIKey of [4-[[[amino-[[amino(dimethylamino)methylidene]amino]methylidene]amino]methyl]phenyl] N,N-diethylcarbamate?
The InChIKey is NLPCEHFLAFJBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2/c1-5-22(6-2)16(23)24-13-9-7-12(8-10-13)11-19-14(17)20-15(18)21(3)4/h7-10H,5-6,11H2,1-4H3,(H4,17,18,19,20).
What are the key properties of [4-[[[amino-[[amino(dimethylamino)methylidene]amino]methylidene]amino]methyl]phenyl] N,N-diethylcarbamate?
[4-[[[amino-[[amino(dimethylamino)methylidene]amino]methylidene]amino]methyl]phenyl] N,N-diethylcarbamate has a molecular weight of 334.42 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[amino-[[amino(dimethylamino)methylidene]amino]methylidene]amino]methyl]phenyl] N,N-diethylcarbamate is sourced from PubChem (CID 66687048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).