dimethylamino-ethyl-(propyliminomethylidene)azanium;hydrochloride

C8H19ClN3+ — CID 22457602

IUPACdimethylamino-ethyl-(propyliminomethylidene)azanium;hydrochloride
SMILESCCCN=C=[N+](CC)N(C)C.Cl
InChIInChI=1S/C8H18N3.ClH/c1-5-7-9-8-11(6-2)10(3)4;/h5-7H2,1-4H3;1H/q+1;
InChIKeyYEZGBRWTTBLKNV-UHFFFAOYSA-N
MW192.71 g/mol
LogP1.50
Rot. Bonds4

About dimethylamino-ethyl-(propyliminomethylidene)azanium;hydrochloride

dimethylamino-ethyl-(propyliminomethylidene)azanium;hydrochloride (PubChem CID 22457602) has the molecular formula C8H19ClN3+ and a molecular weight of 192.71 g/mol. Its IUPAC name is dimethylamino-ethyl-(propyliminomethylidene)azanium;hydrochloride.

Molecular Properties

Compound Namedimethylamino-ethyl-(propyliminomethylidene)azanium;hydrochloride
PubChem CID22457602
Molecular FormulaC8H19ClN3+
Molecular Weight192.71 g/mol
Exact Mass192.13
IUPAC Namedimethylamino-ethyl-(propyliminomethylidene)azanium;hydrochloride
SMILESCCCN=C=[N+](CC)N(C)C.Cl
InChIInChI=1S/C8H18N3.ClH/c1-5-7-9-8-11(6-2)10(3)4;/h5-7H2,1-4H3;1H/q+1;
InChIKeyYEZGBRWTTBLKNV-UHFFFAOYSA-N
XLogP1.50
TPSA18.61 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.71
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N,N'-dipropylmethanediimine
CID 12725951
N,N-dimethylmethanamine;N-ethyl-N'-propylmethanediimine
CID 174940022
ethene;N-methyl-N-(propyliminomethylideneamino)methanamine
CID 174595552
N-methylmethanamine;N'-propylmethanediimine
CID 21287161
N,N-dimethyl-3-(propyliminomethylideneamino)propan-1-amine
CID 11480685
N-(propyliminomethylideneamino)methanamine
CID 176541672
N-methyl-N'-propylmethanediimine
CID 18695318
N'-pentyl-N-propylmethanediimine
CID 88904849
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;silver;hydrochloride
CID 174929426
N,N-dimethylmethanamine;ethanamine;hydrochloride
CID 172712610
N-(propyliminomethylidene)methanesulfonamide
CID 119096603
N-propylhexa-1,3-dien-1-imine
CID 173251675

Frequently Asked Questions

What is the IUPAC name of dimethylamino-ethyl-(propyliminomethylidene)azanium;hydrochloride?
The IUPAC name of dimethylamino-ethyl-(propyliminomethylidene)azanium;hydrochloride (CID 22457602) is dimethylamino-ethyl-(propyliminomethylidene)azanium;hydrochloride.
What is the SMILES notation for dimethylamino-ethyl-(propyliminomethylidene)azanium;hydrochloride?
The canonical SMILES for dimethylamino-ethyl-(propyliminomethylidene)azanium;hydrochloride is CCCN=C=[N+](CC)N(C)C.Cl.
What is the InChIKey of dimethylamino-ethyl-(propyliminomethylidene)azanium;hydrochloride?
The InChIKey is YEZGBRWTTBLKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N3.ClH/c1-5-7-9-8-11(6-2)10(3)4;/h5-7H2,1-4H3;1H/q+1;.
What are the key properties of dimethylamino-ethyl-(propyliminomethylidene)azanium;hydrochloride?
dimethylamino-ethyl-(propyliminomethylidene)azanium;hydrochloride has a molecular weight of 192.71 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino-ethyl-(propyliminomethylidene)azanium;hydrochloride is sourced from PubChem (CID 22457602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).