N'-(C,N-dimethylcarbonimidoyl)-2-methyl-N-methylidenepropanimidamide

C8H15N3 — CID 155041471

IUPACN'-(C,N-dimethylcarbonimidoyl)-2-methyl-N-methylidenepropanimidamide
SMILESC=N/C(=N\C(C)=N\C)C(C)C
InChIInChI=1S/C8H15N3/c1-6(2)8(10-5)11-7(3)9-4/h6H,5H2,1-4H3/b9-7+,11-8-
InChIKeyVFJLHJBJTZDQIE-BGZVTZOUSA-N
MW153.23 g/mol
LogP1.79
Rot. Bonds1

About N'-(C,N-dimethylcarbonimidoyl)-2-methyl-N-methylidenepropanimidamide

N'-(C,N-dimethylcarbonimidoyl)-2-methyl-N-methylidenepropanimidamide (PubChem CID 155041471) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N'-(C,N-dimethylcarbonimidoyl)-2-methyl-N-methylidenepropanimidamide.

Molecular Properties

Compound NameN'-(C,N-dimethylcarbonimidoyl)-2-methyl-N-methylidenepropanimidamide
PubChem CID155041471
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN'-(C,N-dimethylcarbonimidoyl)-2-methyl-N-methylidenepropanimidamide
SMILESC=N/C(=N\C(C)=N\C)C(C)C
InChIInChI=1S/C8H15N3/c1-6(2)8(10-5)11-7(3)9-4/h6H,5H2,1-4H3/b9-7+,11-8-
InChIKeyVFJLHJBJTZDQIE-BGZVTZOUSA-N
XLogP1.79
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

N',2-dimethyl-N-propan-2-ylidenepropanimidamide
CID 167026790
N'-methyl-N-propan-2-ylideneethanimidamide
CID 158478143
N'-[(E)-3,4-dimethylpent-2-en-2-yl]-N-methylideneethanimidamide
CID 154973119
ethane;N'-methyl-N-propan-2-ylideneethanimidamide
CID 142000403
N-(C,N-dimethylcarbonimidoyl)ethanimidoyl iodide
CID 135129023
prop-2-enyl N'-(C,N-dimethylcarbonimidoyl)-N-methylidenecarbamimidate
CID 166894165
N'-(C,N-dimethylcarbonimidoyl)-2-methylprop-2-enimidamide
CID 130436154
N'-methyl-N-propan-2-yl-N-prop-1-en-2-ylethanimidamide
CID 123367208
3-methyl-N-[(Z)-3-methyl-1-(methylideneamino)but-1-en-2-yl]butan-2-imine
CID 129168703
N-[(Z)-4-methyl-3-methylsulfanylpent-2-en-2-yl]methanimine
CID 126704572
ethane;N-methylmethanimine;N-prop-1-en-2-ylmethanimine
CID 143372757
ethane;N,N',2-trimethylpropanimidamide
CID 155741281

Frequently Asked Questions

What is the IUPAC name of N'-(C,N-dimethylcarbonimidoyl)-2-methyl-N-methylidenepropanimidamide?
The IUPAC name of N'-(C,N-dimethylcarbonimidoyl)-2-methyl-N-methylidenepropanimidamide (CID 155041471) is N'-(C,N-dimethylcarbonimidoyl)-2-methyl-N-methylidenepropanimidamide.
What is the SMILES notation for N'-(C,N-dimethylcarbonimidoyl)-2-methyl-N-methylidenepropanimidamide?
The canonical SMILES for N'-(C,N-dimethylcarbonimidoyl)-2-methyl-N-methylidenepropanimidamide is C=N/C(=N\C(C)=N\C)C(C)C.
What is the InChIKey of N'-(C,N-dimethylcarbonimidoyl)-2-methyl-N-methylidenepropanimidamide?
The InChIKey is VFJLHJBJTZDQIE-BGZVTZOUSA-N. The full InChI is InChI=1S/C8H15N3/c1-6(2)8(10-5)11-7(3)9-4/h6H,5H2,1-4H3/b9-7+,11-8-.
What are the key properties of N'-(C,N-dimethylcarbonimidoyl)-2-methyl-N-methylidenepropanimidamide?
N'-(C,N-dimethylcarbonimidoyl)-2-methyl-N-methylidenepropanimidamide has a molecular weight of 153.23 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(C,N-dimethylcarbonimidoyl)-2-methyl-N-methylidenepropanimidamide is sourced from PubChem (CID 155041471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).