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

C8H51ClN14 — CID 174499626

IUPACazane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCCN=C=NCCCN(C)C.Cl.N.N.N.N.N.N.N.N.N.N.N
InChIInChI=1S/C8H17N3.ClH.11H3N/c1-4-9-8-10-6-5-7-11(2)3;;;;;;;;;;;;/h4-7H2,1-3H3;1H;11*1H3
InChIKeySOZPALZIEUQGLS-UHFFFAOYSA-N
MW379.05 g/mol
LogP3.34
Rot. Bonds5

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

azane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride (PubChem CID 174499626) has the molecular formula C8H51ClN14 and a molecular weight of 379.05 g/mol. Its IUPAC name is azane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Nameazane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
PubChem CID174499626
Molecular FormulaC8H51ClN14
Molecular Weight379.05 g/mol
Exact Mass378.41
IUPAC Nameazane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCCN=C=NCCCN(C)C.Cl.N.N.N.N.N.N.N.N.N.N.N
InChIInChI=1S/C8H17N3.ClH.11H3N/c1-4-9-8-10-6-5-7-11(2)3;;;;;;;;;;;;/h4-7H2,1-3H3;1H;11*1H3
InChIKeySOZPALZIEUQGLS-UHFFFAOYSA-N
XLogP3.34
TPSA412.96 Ų
H-Bond Donors11
H-Bond Acceptors14
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500379.05
LogP ≤ 53.34
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Related Compounds

azane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine
CID 146446789
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;silver;hydrochloride
CID 174929426
ethene;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
CID 87575427
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 azane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of azane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride (CID 174499626) is azane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for azane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for azane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride is CCN=C=NCCCN(C)C.Cl.N.N.N.N.N.N.N.N.N.N.N.
What is the InChIKey of azane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride?
The InChIKey is SOZPALZIEUQGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3.ClH.11H3N/c1-4-9-8-10-6-5-7-11(2)3;;;;;;;;;;;;/h4-7H2,1-3H3;1H;11*1H3.
What are the key properties of azane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride?
azane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride has a molecular weight of 379.05 g/mol, XLogP of 3.34, 5 rotatable bonds, 11 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 174499626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).