sodium;hydride;4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride

C8H19ClN3Na — CID 174856515

IUPACsodium;hydride;4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride
SMILESCC(N=C=N)C(C)(C)CCN.Cl.[H-].[Na+]
InChIInChI=1S/C8H17N3.ClH.Na.H/c1-7(11-6-10)8(2,3)4-5-9;;;/h7,10H,4-5,9H2,1-3H3;1H;;/q;;+1;-1
InChIKeyWNYQLEBPRGKWJK-UHFFFAOYSA-N
MW215.70 g/mol
LogP-0.96
Rot. Bonds4

About sodium;hydride;4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride

sodium;hydride;4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride (PubChem CID 174856515) has the molecular formula C8H19ClN3Na and a molecular weight of 215.70 g/mol. Its IUPAC name is sodium;hydride;4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride.

Molecular Properties

Compound Namesodium;hydride;4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride
PubChem CID174856515
Molecular FormulaC8H19ClN3Na
Molecular Weight215.70 g/mol
Exact Mass215.12
IUPAC Namesodium;hydride;4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride
SMILESCC(N=C=N)C(C)(C)CCN.Cl.[H-].[Na+]
InChIInChI=1S/C8H17N3.ClH.Na.H/c1-7(11-6-10)8(2,3)4-5-9;;;/h7,10H,4-5,9H2,1-3H3;1H;;/q;;+1;-1
InChIKeyWNYQLEBPRGKWJK-UHFFFAOYSA-N
XLogP-0.96
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 sodium;hydride;4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride?
The IUPAC name of sodium;hydride;4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride (CID 174856515) is sodium;hydride;4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride.
What is the SMILES notation for sodium;hydride;4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride?
The canonical SMILES for sodium;hydride;4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride is CC(N=C=N)C(C)(C)CCN.Cl.[H-].[Na+].
What is the InChIKey of sodium;hydride;4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride?
The InChIKey is WNYQLEBPRGKWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3.ClH.Na.H/c1-7(11-6-10)8(2,3)4-5-9;;;/h7,10H,4-5,9H2,1-3H3;1H;;/q;;+1;-1.
What are the key properties of sodium;hydride;4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride?
sodium;hydride;4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride has a molecular weight of 215.70 g/mol, XLogP of -0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride is sourced from PubChem (CID 174856515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).