3,3-diethyl-4-(iminomethylideneamino)pentan-1-amine;hydrochloride

C10H22ClN3 — CID 174959672

IUPAC3,3-diethyl-4-(iminomethylideneamino)pentan-1-amine;hydrochloride
SMILESCCC(CC)(CCN)C(C)N=C=N.Cl
InChIInChI=1S/C10H21N3.ClH/c1-4-10(5-2,6-7-11)9(3)13-8-12;/h9,12H,4-7,11H2,1-3H3;1H
InChIKeyCAYSYNZZLYJQEW-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.70
Rot. Bonds6

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

3,3-diethyl-4-(iminomethylideneamino)pentan-1-amine;hydrochloride (PubChem CID 174959672) has the molecular formula C10H22ClN3 and a molecular weight of 219.76 g/mol. Its IUPAC name is 3,3-diethyl-4-(iminomethylideneamino)pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name3,3-diethyl-4-(iminomethylideneamino)pentan-1-amine;hydrochloride
PubChem CID174959672
Molecular FormulaC10H22ClN3
Molecular Weight219.76 g/mol
Exact Mass219.15
IUPAC Name3,3-diethyl-4-(iminomethylideneamino)pentan-1-amine;hydrochloride
SMILESCCC(CC)(CCN)C(C)N=C=N.Cl
InChIInChI=1S/C10H21N3.ClH/c1-4-10(5-2,6-7-11)9(3)13-8-12;/h9,12H,4-7,11H2,1-3H3;1H
InChIKeyCAYSYNZZLYJQEW-UHFFFAOYSA-N
XLogP2.70
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.70
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 3,3-diethyl-4-(iminomethylideneamino)pentan-1-amine;hydrochloride?
The IUPAC name of 3,3-diethyl-4-(iminomethylideneamino)pentan-1-amine;hydrochloride (CID 174959672) is 3,3-diethyl-4-(iminomethylideneamino)pentan-1-amine;hydrochloride.
What is the SMILES notation for 3,3-diethyl-4-(iminomethylideneamino)pentan-1-amine;hydrochloride?
The canonical SMILES for 3,3-diethyl-4-(iminomethylideneamino)pentan-1-amine;hydrochloride is CCC(CC)(CCN)C(C)N=C=N.Cl.
What is the InChIKey of 3,3-diethyl-4-(iminomethylideneamino)pentan-1-amine;hydrochloride?
The InChIKey is CAYSYNZZLYJQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3.ClH/c1-4-10(5-2,6-7-11)9(3)13-8-12;/h9,12H,4-7,11H2,1-3H3;1H.
What are the key properties of 3,3-diethyl-4-(iminomethylideneamino)pentan-1-amine;hydrochloride?
3,3-diethyl-4-(iminomethylideneamino)pentan-1-amine;hydrochloride has a molecular weight of 219.76 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-4-(iminomethylideneamino)pentan-1-amine;hydrochloride is sourced from PubChem (CID 174959672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).