N,N',2-trimethyl-2-[[2-methyl-1-(methylamino)-1-methyliminopropan-2-yl]diazenyl]propanimidamide

C12H26N6 — CID 18323527

IUPACN,N',2-trimethyl-2-[[2-methyl-1-(methylamino)-1-methyliminopropan-2-yl]diazenyl]propanimidamide
SMILESC/N=C(\NC)C(C)(C)/N=N/C(C)(C)/C(=N/C)NC
InChIInChI=1S/C12H26N6/c1-11(2,9(13-5)14-6)17-18-12(3,4)10(15-7)16-8/h1-8H3,(H,13,14)(H,15,16)/b18-17+
InChIKeyAPSHWZZSBSINOR-ISLYRVAYSA-N
MW254.38 g/mol
LogP1.49
Rot. Bonds4

About N,N',2-trimethyl-2-[[2-methyl-1-(methylamino)-1-methyliminopropan-2-yl]diazenyl]propanimidamide

N,N',2-trimethyl-2-[[2-methyl-1-(methylamino)-1-methyliminopropan-2-yl]diazenyl]propanimidamide (PubChem CID 18323527) has the molecular formula C12H26N6 and a molecular weight of 254.38 g/mol. Its IUPAC name is N,N',2-trimethyl-2-[[2-methyl-1-(methylamino)-1-methyliminopropan-2-yl]diazenyl]propanimidamide.

Molecular Properties

Compound NameN,N',2-trimethyl-2-[[2-methyl-1-(methylamino)-1-methyliminopropan-2-yl]diazenyl]propanimidamide
PubChem CID18323527
Molecular FormulaC12H26N6
Molecular Weight254.38 g/mol
Exact Mass254.22
IUPAC NameN,N',2-trimethyl-2-[[2-methyl-1-(methylamino)-1-methyliminopropan-2-yl]diazenyl]propanimidamide
SMILESC/N=C(\NC)C(C)(C)/N=N/C(C)(C)/C(=N/C)NC
InChIInChI=1S/C12H26N6/c1-11(2,9(13-5)14-6)17-18-12(3,4)10(15-7)16-8/h1-8H3,(H,13,14)(H,15,16)/b18-17+
InChIKeyAPSHWZZSBSINOR-ISLYRVAYSA-N
XLogP1.49
TPSA73.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,N',2-trimethyl-2-[[2-methyl-1-(methylamino)-1-methyliminopropan-2-yl]diazenyl]propanimidamide;dihydrochloride
CID 19917315
N',2,2-trimethyl-N-(propan-2-ylideneamino)propanimidamide
CID 91278102
N-cyano-N',2,2-trimethylpropanimidamide
CID 59465497
N',2,2-trimethyl-N-phosphanylpropanimidamide
CID 166726480
N,N'-dimethylcarbamimidothioate;yttrium(3+)
CID 21356879
N-(ethylamino)-N',2,2-trimethylpropanimidamide
CID 146267713
N,N'-dimethylethanimidamide;ethane
CID 176553571
1-(2,2-dimethylpropyl)-1,2,3-trimethylguanidine
CID 59021791
N-(N,N'-dimethylcarbamimidoyl)-2,2,2-trifluoroacetamide
CID 141001647
N,N'-dimethylcarbamimidoyl chloride;hydrochloride
CID 14852963
1,2-dimethylguanidine;methanamine
CID 159210195
[1-amino-2-[(1-amino-1-azaniumylidene-2-methylpropan-2-yl)diazenyl]-2-methylpropylidene]azanium
CID 24848207

Frequently Asked Questions

What is the IUPAC name of N,N',2-trimethyl-2-[[2-methyl-1-(methylamino)-1-methyliminopropan-2-yl]diazenyl]propanimidamide?
The IUPAC name of N,N',2-trimethyl-2-[[2-methyl-1-(methylamino)-1-methyliminopropan-2-yl]diazenyl]propanimidamide (CID 18323527) is N,N',2-trimethyl-2-[[2-methyl-1-(methylamino)-1-methyliminopropan-2-yl]diazenyl]propanimidamide.
What is the SMILES notation for N,N',2-trimethyl-2-[[2-methyl-1-(methylamino)-1-methyliminopropan-2-yl]diazenyl]propanimidamide?
The canonical SMILES for N,N',2-trimethyl-2-[[2-methyl-1-(methylamino)-1-methyliminopropan-2-yl]diazenyl]propanimidamide is C/N=C(\NC)C(C)(C)/N=N/C(C)(C)/C(=N/C)NC.
What is the InChIKey of N,N',2-trimethyl-2-[[2-methyl-1-(methylamino)-1-methyliminopropan-2-yl]diazenyl]propanimidamide?
The InChIKey is APSHWZZSBSINOR-ISLYRVAYSA-N. The full InChI is InChI=1S/C12H26N6/c1-11(2,9(13-5)14-6)17-18-12(3,4)10(15-7)16-8/h1-8H3,(H,13,14)(H,15,16)/b18-17+.
What are the key properties of N,N',2-trimethyl-2-[[2-methyl-1-(methylamino)-1-methyliminopropan-2-yl]diazenyl]propanimidamide?
N,N',2-trimethyl-2-[[2-methyl-1-(methylamino)-1-methyliminopropan-2-yl]diazenyl]propanimidamide has a molecular weight of 254.38 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',2-trimethyl-2-[[2-methyl-1-(methylamino)-1-methyliminopropan-2-yl]diazenyl]propanimidamide is sourced from PubChem (CID 18323527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).