N-[1-(dimethylamino)ethylidene]ethanimidamide

C6H13N3 — CID 88533812

IUPACN-[1-(dimethylamino)ethylidene]ethanimidamide
SMILES[H]/N=C(C)/N=C(\C)N(C)C
InChIInChI=1S/C6H13N3/c1-5(7)8-6(2)9(3)4/h7H,1-4H3/b7-5+,8-6+
InChIKeyCOUSCUOCLGTXBU-KQQUZDAGSA-N
MW127.19 g/mol
LogP0.96
Rot. Bonds

About N-[1-(dimethylamino)ethylidene]ethanimidamide

N-[1-(dimethylamino)ethylidene]ethanimidamide (PubChem CID 88533812) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N-[1-(dimethylamino)ethylidene]ethanimidamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)ethylidene]ethanimidamide
PubChem CID88533812
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN-[1-(dimethylamino)ethylidene]ethanimidamide
SMILES[H]/N=C(C)/N=C(\C)N(C)C
InChIInChI=1S/C6H13N3/c1-5(7)8-6(2)9(3)4/h7H,1-4H3/b7-5+,8-6+
InChIKeyCOUSCUOCLGTXBU-KQQUZDAGSA-N
XLogP0.96
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.96
H-Bond Donors ≤ 51
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-[1-(dimethylamino)ethylidene]-2,2,2-trifluoroethanimidamide
CID 154723464
(N-ethanimidoyl-C-methylcarbonimidoyl)azanide
CID 102169739
N-oxoethanimidamide
CID 134954797
N'-hydroxy-N,N-dimethylethanimidamide
CID 6308604
acetic acid;3-(diaminomethylidene)-1,1-dimethylguanidine
CID 24961549
2,3-diamino-N'-ethanimidoyl-N-ethenyl-N-(2-methylpropyl)but-2-enimidamide
CID 174042244
1-[1-(dimethylamino)ethylidene]-3-propan-2-ylurea
CID 123219297
N'-ethanimidoyl-N-methyl-N-(1-naphthalen-2-ylethyl)naphthalene-2-carboximidamide
CID 145180219
(E)-4-imino-N,N-dimethylpent-2-en-2-amine
CID 123583193
N-[(Z)-but-2-en-2-yl]iminoethanimidamide
CID 58731108
N,N-dimethyl-N'-methylphosphonoylethanimidamide;yttrium
CID 147315573
N-[1-(dimethylamino)-2,2-dimethylpropylidene]-2,2-dimethylpropanimidamide
CID 167052160

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)ethylidene]ethanimidamide?
The IUPAC name of N-[1-(dimethylamino)ethylidene]ethanimidamide (CID 88533812) is N-[1-(dimethylamino)ethylidene]ethanimidamide.
What is the SMILES notation for N-[1-(dimethylamino)ethylidene]ethanimidamide?
The canonical SMILES for N-[1-(dimethylamino)ethylidene]ethanimidamide is [H]/N=C(C)/N=C(\C)N(C)C.
What is the InChIKey of N-[1-(dimethylamino)ethylidene]ethanimidamide?
The InChIKey is COUSCUOCLGTXBU-KQQUZDAGSA-N. The full InChI is InChI=1S/C6H13N3/c1-5(7)8-6(2)9(3)4/h7H,1-4H3/b7-5+,8-6+.
What are the key properties of N-[1-(dimethylamino)ethylidene]ethanimidamide?
N-[1-(dimethylamino)ethylidene]ethanimidamide has a molecular weight of 127.19 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)ethylidene]ethanimidamide is sourced from PubChem (CID 88533812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).