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

C8H18ClN3 — CID 22050267

IUPAC4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride
SMILESCC(N=C=N)C(C)(C)CCN.Cl
InChIInChI=1S/C8H17N3.ClH/c1-7(11-6-10)8(2,3)4-5-9;/h7,10H,4-5,9H2,1-3H3;1H
InChIKeyHGUSHCFGADGDFU-UHFFFAOYSA-N
MW191.71 g/mol
LogP1.92
Rot. Bonds4

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

4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride (PubChem CID 22050267) has the molecular formula C8H18ClN3 and a molecular weight of 191.71 g/mol. Its IUPAC name is 4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride
PubChem CID22050267
Molecular FormulaC8H18ClN3
Molecular Weight191.71 g/mol
Exact Mass191.12
IUPAC Name4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride
SMILESCC(N=C=N)C(C)(C)CCN.Cl
InChIInChI=1S/C8H17N3.ClH/c1-7(11-6-10)8(2,3)4-5-9;/h7,10H,4-5,9H2,1-3H3;1H
InChIKeyHGUSHCFGADGDFU-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
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 4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride?
The IUPAC name of 4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride (CID 22050267) is 4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride.
What is the SMILES notation for 4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride?
The canonical SMILES for 4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride is CC(N=C=N)C(C)(C)CCN.Cl.
What is the InChIKey of 4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride?
The InChIKey is HGUSHCFGADGDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3.ClH/c1-7(11-6-10)8(2,3)4-5-9;/h7,10H,4-5,9H2,1-3H3;1H.
What are the key properties of 4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride?
4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride has a molecular weight of 191.71 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(iminomethylideneamino)-3,3-dimethylpentan-1-amine;hydrochloride is sourced from PubChem (CID 22050267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).