1-(iminomethylideneamino)-N,N-dimethylethanamine;hydrochloride

C5H12ClN3 — CID 174456440

IUPAC1-(iminomethylideneamino)-N,N-dimethylethanamine;hydrochloride
SMILESCC(N=C=N)N(C)C.Cl
InChIInChI=1S/C5H11N3.ClH/c1-5(7-4-6)8(2)3;/h5-6H,1-3H3;1H
InChIKeyQOSOONFMGQTODO-UHFFFAOYSA-N
MW149.62 g/mol
LogP1.07
Rot. Bonds2

About 1-(iminomethylideneamino)-N,N-dimethylethanamine;hydrochloride

1-(iminomethylideneamino)-N,N-dimethylethanamine;hydrochloride (PubChem CID 174456440) has the molecular formula C5H12ClN3 and a molecular weight of 149.62 g/mol. Its IUPAC name is 1-(iminomethylideneamino)-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound Name1-(iminomethylideneamino)-N,N-dimethylethanamine;hydrochloride
PubChem CID174456440
Molecular FormulaC5H12ClN3
Molecular Weight149.62 g/mol
Exact Mass149.07
IUPAC Name1-(iminomethylideneamino)-N,N-dimethylethanamine;hydrochloride
SMILESCC(N=C=N)N(C)C.Cl
InChIInChI=1S/C5H11N3.ClH/c1-5(7-4-6)8(2)3;/h5-6H,1-3H3;1H
InChIKeyQOSOONFMGQTODO-UHFFFAOYSA-N
XLogP1.07
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(iminomethylideneamino)-N,N-dimethylethanamine;hydrochloride?
The IUPAC name of 1-(iminomethylideneamino)-N,N-dimethylethanamine;hydrochloride (CID 174456440) is 1-(iminomethylideneamino)-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for 1-(iminomethylideneamino)-N,N-dimethylethanamine;hydrochloride?
The canonical SMILES for 1-(iminomethylideneamino)-N,N-dimethylethanamine;hydrochloride is CC(N=C=N)N(C)C.Cl.
What is the InChIKey of 1-(iminomethylideneamino)-N,N-dimethylethanamine;hydrochloride?
The InChIKey is QOSOONFMGQTODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3.ClH/c1-5(7-4-6)8(2)3;/h5-6H,1-3H3;1H.
What are the key properties of 1-(iminomethylideneamino)-N,N-dimethylethanamine;hydrochloride?
1-(iminomethylideneamino)-N,N-dimethylethanamine;hydrochloride has a molecular weight of 149.62 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iminomethylideneamino)-N,N-dimethylethanamine;hydrochloride is sourced from PubChem (CID 174456440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).