N'-(3,3-diethylpentan-2-yl)methanediimine;hydrochloride

C10H21ClN2 — CID 87627355

IUPACN'-(3,3-diethylpentan-2-yl)methanediimine;hydrochloride
SMILESCCC(CC)(CC)C(C)N=C=N.Cl
InChIInChI=1S/C10H20N2.ClH/c1-5-10(6-2,7-3)9(4)12-8-11;/h9,11H,5-7H2,1-4H3;1H
InChIKeyKUHRICMAJFPBRZ-UHFFFAOYSA-N
MW204.74 g/mol
LogP3.77
Rot. Bonds5

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

N'-(3,3-diethylpentan-2-yl)methanediimine;hydrochloride (PubChem CID 87627355) has the molecular formula C10H21ClN2 and a molecular weight of 204.74 g/mol. Its IUPAC name is N'-(3,3-diethylpentan-2-yl)methanediimine;hydrochloride.

Molecular Properties

Compound NameN'-(3,3-diethylpentan-2-yl)methanediimine;hydrochloride
PubChem CID87627355
Molecular FormulaC10H21ClN2
Molecular Weight204.74 g/mol
Exact Mass204.14
IUPAC NameN'-(3,3-diethylpentan-2-yl)methanediimine;hydrochloride
SMILESCCC(CC)(CC)C(C)N=C=N.Cl
InChIInChI=1S/C10H20N2.ClH/c1-5-10(6-2,7-3)9(4)12-8-11;/h9,11H,5-7H2,1-4H3;1H
InChIKeyKUHRICMAJFPBRZ-UHFFFAOYSA-N
XLogP3.77
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.74
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-(3,3-diethylpentan-2-yl)methanediimine;hydrochloride?
The IUPAC name of N'-(3,3-diethylpentan-2-yl)methanediimine;hydrochloride (CID 87627355) is N'-(3,3-diethylpentan-2-yl)methanediimine;hydrochloride.
What is the SMILES notation for N'-(3,3-diethylpentan-2-yl)methanediimine;hydrochloride?
The canonical SMILES for N'-(3,3-diethylpentan-2-yl)methanediimine;hydrochloride is CCC(CC)(CC)C(C)N=C=N.Cl.
What is the InChIKey of N'-(3,3-diethylpentan-2-yl)methanediimine;hydrochloride?
The InChIKey is KUHRICMAJFPBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.ClH/c1-5-10(6-2,7-3)9(4)12-8-11;/h9,11H,5-7H2,1-4H3;1H.
What are the key properties of N'-(3,3-diethylpentan-2-yl)methanediimine;hydrochloride?
N'-(3,3-diethylpentan-2-yl)methanediimine;hydrochloride has a molecular weight of 204.74 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3-diethylpentan-2-yl)methanediimine;hydrochloride is sourced from PubChem (CID 87627355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).