N'-(3-methylbutan-2-yl)methanediimine;hydrochloride

C6H13ClN2 — CID 87645161

IUPACN'-(3-methylbutan-2-yl)methanediimine;hydrochloride
SMILESCC(C)C(C)N=C=N.Cl
InChIInChI=1S/C6H12N2.ClH/c1-5(2)6(3)8-4-7;/h5-7H,1-3H3;1H
InChIKeyOGTYOWMNJGCWQU-UHFFFAOYSA-N
MW148.64 g/mol
LogP2.21
Rot. Bonds2

About N'-(3-methylbutan-2-yl)methanediimine;hydrochloride

N'-(3-methylbutan-2-yl)methanediimine;hydrochloride (PubChem CID 87645161) has the molecular formula C6H13ClN2 and a molecular weight of 148.64 g/mol. Its IUPAC name is N'-(3-methylbutan-2-yl)methanediimine;hydrochloride.

Molecular Properties

Compound NameN'-(3-methylbutan-2-yl)methanediimine;hydrochloride
PubChem CID87645161
Molecular FormulaC6H13ClN2
Molecular Weight148.64 g/mol
Exact Mass148.08
IUPAC NameN'-(3-methylbutan-2-yl)methanediimine;hydrochloride
SMILESCC(C)C(C)N=C=N.Cl
InChIInChI=1S/C6H12N2.ClH/c1-5(2)6(3)8-4-7;/h5-7H,1-3H3;1H
InChIKeyOGTYOWMNJGCWQU-UHFFFAOYSA-N
XLogP2.21
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.64
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-isocyanato-3-methylbutane
CID 53399131
N'-(3,3-diethylpentan-2-yl)methanediimine;hydrochloride
CID 87627355
4-(iminomethylideneamino)-1-N,1-N-dimethylpentane-1,3-diamine
CID 87263250
N'-(dichloromethyl)methanediimine
CID 150248858
N'-(2,3-dimethylbutyl)methanediimine
CID 150948733
N'-(1,3-dichlorohexyl)methanediimine;hydrochloride
CID 22902060
N-ethyl-N-(iminomethylideneamino)propan-2-amine
CID 87920408
N,N-diethyl-3-(iminomethylideneamino)pentan-1-amine
CID 87182255
bis(2-methylpropane);dihydrochloride
CID 174914375
2-(iminomethylideneamino)-3-methylhexan-2-amine;hydrochloride
CID 87480683
2-fluoropropane;isocyanic acid
CID 175283113
isocyanic acid;propan-2-amine
CID 172845143

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylbutan-2-yl)methanediimine;hydrochloride?
The IUPAC name of N'-(3-methylbutan-2-yl)methanediimine;hydrochloride (CID 87645161) is N'-(3-methylbutan-2-yl)methanediimine;hydrochloride.
What is the SMILES notation for N'-(3-methylbutan-2-yl)methanediimine;hydrochloride?
The canonical SMILES for N'-(3-methylbutan-2-yl)methanediimine;hydrochloride is CC(C)C(C)N=C=N.Cl.
What is the InChIKey of N'-(3-methylbutan-2-yl)methanediimine;hydrochloride?
The InChIKey is OGTYOWMNJGCWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.ClH/c1-5(2)6(3)8-4-7;/h5-7H,1-3H3;1H.
What are the key properties of N'-(3-methylbutan-2-yl)methanediimine;hydrochloride?
N'-(3-methylbutan-2-yl)methanediimine;hydrochloride has a molecular weight of 148.64 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylbutan-2-yl)methanediimine;hydrochloride is sourced from PubChem (CID 87645161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).