ethene;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride

C10H22ClN3 — CID 87575427

IUPACethene;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
SMILESC=C.CCN=C=NCCCN(C)C.Cl
InChIInChI=1S/C8H17N3.C2H4.ClH/c1-4-9-8-10-6-5-7-11(2)3;1-2;/h4-7H2,1-3H3;1-2H2;1H
InChIKeyURXQFBBNBPKWAF-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.36
Rot. Bonds5

About ethene;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride

ethene;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride (PubChem CID 87575427) has the molecular formula C10H22ClN3 and a molecular weight of 219.76 g/mol. Its IUPAC name is ethene;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Nameethene;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
PubChem CID87575427
Molecular FormulaC10H22ClN3
Molecular Weight219.76 g/mol
Exact Mass219.15
IUPAC Nameethene;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
SMILESC=C.CCN=C=NCCCN(C)C.Cl
InChIInChI=1S/C8H17N3.C2H4.ClH/c1-4-9-8-10-6-5-7-11(2)3;1-2;/h4-7H2,1-3H3;1-2H2;1H
InChIKeyURXQFBBNBPKWAF-UHFFFAOYSA-N
XLogP2.36
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethene;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
CID 174499626
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;silver;hydrochloride
CID 174929426
azane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine
CID 146446789
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;propan-2-one
CID 158337348
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;methylsulfinylmethane
CID 87433592
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;N-ethyl-N-propan-2-ylpropan-2-amine
CID 86755171
butan-1-ol;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine
CID 170171084
1-chlorotetradecane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
CID 174522599
N,N-dimethyl-3-(propyliminomethylideneamino)propan-1-amine
CID 11480685
trisodium;dihydrogen phosphate;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrogen phosphate;hydrochloride
CID 174942509
acetic acid;azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;ethene;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;dihydrochloride
CID 173056526
3-(ethyliminomethylideneamino)-N,N-bis(sulfanyl)propan-1-amine
CID 150563881

Frequently Asked Questions

What is the IUPAC name of ethene;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of ethene;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride (CID 87575427) is ethene;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for ethene;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for ethene;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride is C=C.CCN=C=NCCCN(C)C.Cl.
What is the InChIKey of ethene;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride?
The InChIKey is URXQFBBNBPKWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3.C2H4.ClH/c1-4-9-8-10-6-5-7-11(2)3;1-2;/h4-7H2,1-3H3;1-2H2;1H.
What are the key properties of ethene;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride?
ethene;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride has a molecular weight of 219.76 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 87575427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).