N'-(2-iminoethyl)-N,N-dimethylmethanimidamide

C5H11N3 — CID 163433841

IUPACN'-(2-iminoethyl)-N,N-dimethylmethanimidamide
SMILES[H]/N=C/C/N=C/N(C)C
InChIInChI=1S/C5H11N3/c1-8(2)5-7-4-3-6/h3,5-6H,4H2,1-2H3/b6-3+,7-5+
InChIKeyASTSZIVJFSFIHI-SNCPXTGUSA-N
MW113.16 g/mol
LogP0.23
Rot. Bonds3

About N'-(2-iminoethyl)-N,N-dimethylmethanimidamide

N'-(2-iminoethyl)-N,N-dimethylmethanimidamide (PubChem CID 163433841) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is N'-(2-iminoethyl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(2-iminoethyl)-N,N-dimethylmethanimidamide
PubChem CID163433841
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC NameN'-(2-iminoethyl)-N,N-dimethylmethanimidamide
SMILES[H]/N=C/C/N=C/N(C)C
InChIInChI=1S/C5H11N3/c1-8(2)5-7-4-3-6/h3,5-6H,4H2,1-2H3/b6-3+,7-5+
InChIKeyASTSZIVJFSFIHI-SNCPXTGUSA-N
XLogP0.23
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.23
H-Bond Donors ≤ 51
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

N'-methanimidoyl-N,N-dimethylmethanimidamide
CID 154515557
N'-(2-iminoethyl)-N-pent-3-enylmethanimidamide
CID 123617636
5-(dimethylaminomethylideneamino)-2-iminopentanoic acid
CID 102300766
N-ethenyl-2-imino-N-methylethanamine
CID 90933998
N,N-dimethyl-N'-(3-methylbutyl)methanimidamide
CID 101118140
2-[(2,3,6-trimethylphenyl)diazenyl]ethanimine
CID 123900402
propane-1,3-diimine
CID 18934492
propane;propan-1-imine
CID 175287004
propane;propane-1,3-diimine
CID 142057441
N'-(5-hydroxypentyl)-N,N-dimethylmethanimidamide
CID 10820850
2-[(3-fluoro-5-methylphenyl)diazenyl]ethanimine
CID 123358628
N'-benzyl-N,N-dimethylmethanimidamide
CID 523875

Frequently Asked Questions

What is the IUPAC name of N'-(2-iminoethyl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(2-iminoethyl)-N,N-dimethylmethanimidamide (CID 163433841) is N'-(2-iminoethyl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(2-iminoethyl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(2-iminoethyl)-N,N-dimethylmethanimidamide is [H]/N=C/C/N=C/N(C)C.
What is the InChIKey of N'-(2-iminoethyl)-N,N-dimethylmethanimidamide?
The InChIKey is ASTSZIVJFSFIHI-SNCPXTGUSA-N. The full InChI is InChI=1S/C5H11N3/c1-8(2)5-7-4-3-6/h3,5-6H,4H2,1-2H3/b6-3+,7-5+.
What are the key properties of N'-(2-iminoethyl)-N,N-dimethylmethanimidamide?
N'-(2-iminoethyl)-N,N-dimethylmethanimidamide has a molecular weight of 113.16 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-iminoethyl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 163433841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).