N,N'-dimethyl-1-(methyliminomethylideneamino)propane-1,3-diamine;hydrochloride

C7H17ClN4 — CID 87190299

IUPACN,N'-dimethyl-1-(methyliminomethylideneamino)propane-1,3-diamine;hydrochloride
SMILESCN=C=NC(CCNC)NC.Cl
InChIInChI=1S/C7H16N4.ClH/c1-8-5-4-7(10-3)11-6-9-2;/h7-8,10H,4-5H2,1-3H3;1H
InChIKeyBBXONDUKHVDSKR-UHFFFAOYSA-N
MW192.69 g/mol
LogP0.37
Rot. Bonds5

About N,N'-dimethyl-1-(methyliminomethylideneamino)propane-1,3-diamine;hydrochloride

N,N'-dimethyl-1-(methyliminomethylideneamino)propane-1,3-diamine;hydrochloride (PubChem CID 87190299) has the molecular formula C7H17ClN4 and a molecular weight of 192.69 g/mol. Its IUPAC name is N,N'-dimethyl-1-(methyliminomethylideneamino)propane-1,3-diamine;hydrochloride.

Molecular Properties

Compound NameN,N'-dimethyl-1-(methyliminomethylideneamino)propane-1,3-diamine;hydrochloride
PubChem CID87190299
Molecular FormulaC7H17ClN4
Molecular Weight192.69 g/mol
Exact Mass192.11
IUPAC NameN,N'-dimethyl-1-(methyliminomethylideneamino)propane-1,3-diamine;hydrochloride
SMILESCN=C=NC(CCNC)NC.Cl
InChIInChI=1S/C7H16N4.ClH/c1-8-5-4-7(10-3)11-6-9-2;/h7-8,10H,4-5H2,1-3H3;1H
InChIKeyBBXONDUKHVDSKR-UHFFFAOYSA-N
XLogP0.37
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N,N'-dimethyl-1-(methyliminomethylideneamino)propane-1,3-diamine;hydrochloride?
The IUPAC name of N,N'-dimethyl-1-(methyliminomethylideneamino)propane-1,3-diamine;hydrochloride (CID 87190299) is N,N'-dimethyl-1-(methyliminomethylideneamino)propane-1,3-diamine;hydrochloride.
What is the SMILES notation for N,N'-dimethyl-1-(methyliminomethylideneamino)propane-1,3-diamine;hydrochloride?
The canonical SMILES for N,N'-dimethyl-1-(methyliminomethylideneamino)propane-1,3-diamine;hydrochloride is CN=C=NC(CCNC)NC.Cl.
What is the InChIKey of N,N'-dimethyl-1-(methyliminomethylideneamino)propane-1,3-diamine;hydrochloride?
The InChIKey is BBXONDUKHVDSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4.ClH/c1-8-5-4-7(10-3)11-6-9-2;/h7-8,10H,4-5H2,1-3H3;1H.
What are the key properties of N,N'-dimethyl-1-(methyliminomethylideneamino)propane-1,3-diamine;hydrochloride?
N,N'-dimethyl-1-(methyliminomethylideneamino)propane-1,3-diamine;hydrochloride has a molecular weight of 192.69 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-1-(methyliminomethylideneamino)propane-1,3-diamine;hydrochloride is sourced from PubChem (CID 87190299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).