N'-(3-imino-2-methylhexan-2-yl)methanediimine;hydrochloride

C8H16ClN3 — CID 175258009

IUPACN'-(3-imino-2-methylhexan-2-yl)methanediimine;hydrochloride
SMILESCl.[H]/N=C(\CCC)C(C)(C)N=C=N
InChIInChI=1S/C8H15N3.ClH/c1-4-5-7(10)8(2,3)11-6-9;/h9-10H,4-5H2,1-3H3;1H/b10-7+;
InChIKeyWWDZEUDHATYIFP-HCUGZAAXSA-N
MW189.69 g/mol
LogP2.76
Rot. Bonds4

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

N'-(3-imino-2-methylhexan-2-yl)methanediimine;hydrochloride (PubChem CID 175258009) has the molecular formula C8H16ClN3 and a molecular weight of 189.69 g/mol. Its IUPAC name is N'-(3-imino-2-methylhexan-2-yl)methanediimine;hydrochloride.

Molecular Properties

Compound NameN'-(3-imino-2-methylhexan-2-yl)methanediimine;hydrochloride
PubChem CID175258009
Molecular FormulaC8H16ClN3
Molecular Weight189.69 g/mol
Exact Mass189.10
IUPAC NameN'-(3-imino-2-methylhexan-2-yl)methanediimine;hydrochloride
SMILESCl.[H]/N=C(\CCC)C(C)(C)N=C=N
InChIInChI=1S/C8H15N3.ClH/c1-4-5-7(10)8(2,3)11-6-9;/h9-10H,4-5H2,1-3H3;1H/b10-7+;
InChIKeyWWDZEUDHATYIFP-HCUGZAAXSA-N
XLogP2.76
TPSA60.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2,2-difluoropentan-3-imine
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2-(iminomethylideneamino)-3-methylhexan-2-amine;hydrochloride
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2,2,6,6-tetramethylheptan-3-imine
CID 134551035
hexan-3-imine
CID 44512023
butanimidoyl bromide
CID 151001850
N-methyl-N-(2-methylbutan-2-yl)butanimidamide
CID 63962326
(E)-6-oxonon-2-en-4-ynoic acid
CID 131239844
ethane;N-prop-2-enylidenebutanimidamide
CID 170581268
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CID 87133368

Frequently Asked Questions

What is the IUPAC name of N'-(3-imino-2-methylhexan-2-yl)methanediimine;hydrochloride?
The IUPAC name of N'-(3-imino-2-methylhexan-2-yl)methanediimine;hydrochloride (CID 175258009) is N'-(3-imino-2-methylhexan-2-yl)methanediimine;hydrochloride.
What is the SMILES notation for N'-(3-imino-2-methylhexan-2-yl)methanediimine;hydrochloride?
The canonical SMILES for N'-(3-imino-2-methylhexan-2-yl)methanediimine;hydrochloride is Cl.[H]/N=C(\CCC)C(C)(C)N=C=N.
What is the InChIKey of N'-(3-imino-2-methylhexan-2-yl)methanediimine;hydrochloride?
The InChIKey is WWDZEUDHATYIFP-HCUGZAAXSA-N. The full InChI is InChI=1S/C8H15N3.ClH/c1-4-5-7(10)8(2,3)11-6-9;/h9-10H,4-5H2,1-3H3;1H/b10-7+;.
What are the key properties of N'-(3-imino-2-methylhexan-2-yl)methanediimine;hydrochloride?
N'-(3-imino-2-methylhexan-2-yl)methanediimine;hydrochloride has a molecular weight of 189.69 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-imino-2-methylhexan-2-yl)methanediimine;hydrochloride is sourced from PubChem (CID 175258009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).