2-(iminomethylideneamino)-3-methylhexan-2-amine;hydrochloride

C8H18ClN3 — CID 87480683

IUPAC2-(iminomethylideneamino)-3-methylhexan-2-amine;hydrochloride
SMILESCCCC(C)C(C)(N)N=C=N.Cl
InChIInChI=1S/C8H17N3.ClH/c1-4-5-7(2)8(3,10)11-6-9;/h7,9H,4-5,10H2,1-3H3;1H
InChIKeyYAERVWHYFFUNGK-UHFFFAOYSA-N
MW191.71 g/mol
LogP2.27
Rot. Bonds4

About 2-(iminomethylideneamino)-3-methylhexan-2-amine;hydrochloride

2-(iminomethylideneamino)-3-methylhexan-2-amine;hydrochloride (PubChem CID 87480683) has the molecular formula C8H18ClN3 and a molecular weight of 191.71 g/mol. Its IUPAC name is 2-(iminomethylideneamino)-3-methylhexan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-(iminomethylideneamino)-3-methylhexan-2-amine;hydrochloride
PubChem CID87480683
Molecular FormulaC8H18ClN3
Molecular Weight191.71 g/mol
Exact Mass191.12
IUPAC Name2-(iminomethylideneamino)-3-methylhexan-2-amine;hydrochloride
SMILESCCCC(C)C(C)(N)N=C=N.Cl
InChIInChI=1S/C8H17N3.ClH/c1-4-5-7(2)8(3,10)11-6-9;/h7,9H,4-5,10H2,1-3H3;1H
InChIKeyYAERVWHYFFUNGK-UHFFFAOYSA-N
XLogP2.27
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.71
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(iminomethylideneamino)-3-methylhexan-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-2-phenylhexan-2-amine
CID 107892285
3-amino-3,4-dimethylheptan-1-ol
CID 154158859
2-fluoro-2,3-dimethylhexan-1-amine
CID 107889779
2,3-dimethylhexan-2-ylphosphane;hydrobromide
CID 173157513
2-amino-3-methyl-2-(trifluoromethyl)hexanoic acid
CID 107887883
2,3-dimethylhexan-2-amine;hexanoic acid
CID 173175162
ethane;3,3,4-trimethylheptan-1-amine
CID 143679241
3,4-dimethylheptane-2,2,3-trithiol
CID 166664706
(2S)-2-amino-3-hydroxy-2-methylhexanoic acid
CID 45086731
(3-amino-4-methylheptan-3-yl)carbamic acid
CID 87603928
2-chloro-2,3-dimethylhexane;cyclohexane
CID 175373008
trichloro(2,3-dimethylhexan-2-yl)silane
CID 170850505

Frequently Asked Questions

What is the IUPAC name of 2-(iminomethylideneamino)-3-methylhexan-2-amine;hydrochloride?
The IUPAC name of 2-(iminomethylideneamino)-3-methylhexan-2-amine;hydrochloride (CID 87480683) is 2-(iminomethylideneamino)-3-methylhexan-2-amine;hydrochloride.
What is the SMILES notation for 2-(iminomethylideneamino)-3-methylhexan-2-amine;hydrochloride?
The canonical SMILES for 2-(iminomethylideneamino)-3-methylhexan-2-amine;hydrochloride is CCCC(C)C(C)(N)N=C=N.Cl.
What is the InChIKey of 2-(iminomethylideneamino)-3-methylhexan-2-amine;hydrochloride?
The InChIKey is YAERVWHYFFUNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3.ClH/c1-4-5-7(2)8(3,10)11-6-9;/h7,9H,4-5,10H2,1-3H3;1H.
What are the key properties of 2-(iminomethylideneamino)-3-methylhexan-2-amine;hydrochloride?
2-(iminomethylideneamino)-3-methylhexan-2-amine;hydrochloride has a molecular weight of 191.71 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iminomethylideneamino)-3-methylhexan-2-amine;hydrochloride is sourced from PubChem (CID 87480683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).