2-(1H-imidazol-5-ylmethylideneamino)-N,N-dimethylethanamine

C8H14N4 — CID 136726194

IUPAC2-(1H-imidazol-5-ylmethylideneamino)-N,N-dimethylethanamine
SMILESCN(C)CC/N=C/c1cnc[nH]1
InChIInChI=1S/C8H14N4/c1-12(2)4-3-9-5-8-6-10-7-11-8/h5-7H,3-4H2,1-2H3,(H,10,11)/b9-5+
InChIKeyLHHBDPNHEMQPKW-WEVVVXLNSA-N
MW166.23 g/mol
LogP0.39
Rot. Bonds4

About 2-(1H-imidazol-5-ylmethylideneamino)-N,N-dimethylethanamine

2-(1H-imidazol-5-ylmethylideneamino)-N,N-dimethylethanamine (PubChem CID 136726194) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 2-(1H-imidazol-5-ylmethylideneamino)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(1H-imidazol-5-ylmethylideneamino)-N,N-dimethylethanamine
PubChem CID136726194
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name2-(1H-imidazol-5-ylmethylideneamino)-N,N-dimethylethanamine
SMILESCN(C)CC/N=C/c1cnc[nH]1
InChIInChI=1S/C8H14N4/c1-12(2)4-3-9-5-8-6-10-7-11-8/h5-7H,3-4H2,1-2H3,(H,10,11)/b9-5+
InChIKeyLHHBDPNHEMQPKW-WEVVVXLNSA-N
XLogP0.39
TPSA44.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(1H-imidazol-5-yl)-N-propylmethanimine
CID 135966105
(NE)-N-(1H-imidazol-5-ylmethylidene)hydroxylamine
CID 135591025
1-(1H-imidazol-5-yl)-N-[[3-[(1H-imidazol-5-ylmethylideneamino)methyl]phenyl]methyl]methanimine
CID 137147559
3-[(E)-1H-imidazol-5-ylmethylideneamino]-1,1-dimethylurea
CID 137262438
1-(1H-imidazol-5-yl)-N-[4-(1H-imidazol-5-ylmethylideneamino)phenyl]methanimine
CID 137270215
2-[(4-fluorophenyl)methylideneamino]-N,N-dimethylethanamine
CID 102365312
2-(1H-imidazol-5-ylmethylideneamino)propanoic acid
CID 137241948
1-(1H-imidazol-5-yl)-N-[(1S,2S)-2-(1H-imidazol-5-ylmethylideneamino)cyclohexyl]methanimine
CID 136812088
N,N-dimethylbutan-1-amine;5-methyl-1H-imidazole
CID 144593891
1-(1H-imidazol-5-yl)-N-[5-(1H-imidazol-5-ylmethylideneamino)naphthalen-1-yl]methanimine
CID 137251453
1-ethyl-3-[(E)-1H-imidazol-5-ylmethylideneamino]urea
CID 137274384
(E)-1-(1H-imidazol-5-yl)-N-piperidin-1-ylmethanimine
CID 137270615

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-ylmethylideneamino)-N,N-dimethylethanamine?
The IUPAC name of 2-(1H-imidazol-5-ylmethylideneamino)-N,N-dimethylethanamine (CID 136726194) is 2-(1H-imidazol-5-ylmethylideneamino)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(1H-imidazol-5-ylmethylideneamino)-N,N-dimethylethanamine?
The canonical SMILES for 2-(1H-imidazol-5-ylmethylideneamino)-N,N-dimethylethanamine is CN(C)CC/N=C/c1cnc[nH]1.
What is the InChIKey of 2-(1H-imidazol-5-ylmethylideneamino)-N,N-dimethylethanamine?
The InChIKey is LHHBDPNHEMQPKW-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H14N4/c1-12(2)4-3-9-5-8-6-10-7-11-8/h5-7H,3-4H2,1-2H3,(H,10,11)/b9-5+.
What are the key properties of 2-(1H-imidazol-5-ylmethylideneamino)-N,N-dimethylethanamine?
2-(1H-imidazol-5-ylmethylideneamino)-N,N-dimethylethanamine has a molecular weight of 166.23 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-ylmethylideneamino)-N,N-dimethylethanamine is sourced from PubChem (CID 136726194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).