1-(ethyliminomethylideneamino)-2-N,2-N'-dimethylpropane-2,2-diamine

C8H18N4 — CID 174836195

IUPAC1-(ethyliminomethylideneamino)-2-N,2-N'-dimethylpropane-2,2-diamine
SMILESCCN=C=NCC(C)(NC)NC
InChIInChI=1S/C8H18N4/c1-5-11-7-12-6-8(2,9-3)10-4/h9-10H,5-6H2,1-4H3
InChIKeyNVXBMXAJBPHGBO-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.34
Rot. Bonds5

About 1-(ethyliminomethylideneamino)-2-N,2-N'-dimethylpropane-2,2-diamine

1-(ethyliminomethylideneamino)-2-N,2-N'-dimethylpropane-2,2-diamine (PubChem CID 174836195) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(ethyliminomethylideneamino)-2-N,2-N'-dimethylpropane-2,2-diamine.

Molecular Properties

Compound Name1-(ethyliminomethylideneamino)-2-N,2-N'-dimethylpropane-2,2-diamine
PubChem CID174836195
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name1-(ethyliminomethylideneamino)-2-N,2-N'-dimethylpropane-2,2-diamine
SMILESCCN=C=NCC(C)(NC)NC
InChIInChI=1S/C8H18N4/c1-5-11-7-12-6-8(2,9-3)10-4/h9-10H,5-6H2,1-4H3
InChIKeyNVXBMXAJBPHGBO-UHFFFAOYSA-N
XLogP0.34
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(ethyliminomethylideneamino)butane-2,2-diamine
CID 177255665
4-(ethyliminomethylideneamino)butane-2,2-diamine;hydrochloride
CID 177255664
N'-ethyl-N-methylmethanediimine;hydrochloride
CID 174911040
3-amino-N-(ethyliminomethylidene)-3-methylbutanamide
CID 88743416
N,N-dimethylmethanamine;N-ethyl-N'-propylmethanediimine
CID 174940022
N-ethyl-N'-prop-2-enylmethanediimine
CID 54083373
N-ethyl-N'-(4-methylpentyl)methanediimine chloride
CID 169423866
N-ethyl-N'-trimethylsilylmethanediimine
CID 638332
N-ethyl-N'-[2-(ethyliminomethylideneamino)cyclohexyl]methanediimine
CID 57330914
N,N-diethyl-2-(ethyliminomethylideneamino)ethanamine
CID 87926600
N,N'-diethylmethanediimine;isocyanatoethane;isothiocyanatoethane
CID 167685038
N'-tert-butyl-N-ethylmethanediimine;2-methylprop-2-enoic acid
CID 175438196

Frequently Asked Questions

What is the IUPAC name of 1-(ethyliminomethylideneamino)-2-N,2-N'-dimethylpropane-2,2-diamine?
The IUPAC name of 1-(ethyliminomethylideneamino)-2-N,2-N'-dimethylpropane-2,2-diamine (CID 174836195) is 1-(ethyliminomethylideneamino)-2-N,2-N'-dimethylpropane-2,2-diamine.
What is the SMILES notation for 1-(ethyliminomethylideneamino)-2-N,2-N'-dimethylpropane-2,2-diamine?
The canonical SMILES for 1-(ethyliminomethylideneamino)-2-N,2-N'-dimethylpropane-2,2-diamine is CCN=C=NCC(C)(NC)NC.
What is the InChIKey of 1-(ethyliminomethylideneamino)-2-N,2-N'-dimethylpropane-2,2-diamine?
The InChIKey is NVXBMXAJBPHGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-5-11-7-12-6-8(2,9-3)10-4/h9-10H,5-6H2,1-4H3.
What are the key properties of 1-(ethyliminomethylideneamino)-2-N,2-N'-dimethylpropane-2,2-diamine?
1-(ethyliminomethylideneamino)-2-N,2-N'-dimethylpropane-2,2-diamine has a molecular weight of 170.26 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethyliminomethylideneamino)-2-N,2-N'-dimethylpropane-2,2-diamine is sourced from PubChem (CID 174836195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).