1-morpholin-3-ylpentan-2-imine;dihydrochloride

C9H20Cl2N2O — CID 174268999

IUPAC1-morpholin-3-ylpentan-2-imine;dihydrochloride
SMILESCl.Cl.[H]/N=C(\CCC)CC1COCCN1
InChIInChI=1S/C9H18N2O.2ClH/c1-2-3-8(10)6-9-7-12-5-4-11-9;;/h9-11H,2-7H2,1H3;2*1H/b10-8+;;
InChIKeyIALXSWHRFQIERI-PIHABLKOSA-N
MW243.18 g/mol
LogP2.03
Rot. Bonds4

About 1-morpholin-3-ylpentan-2-imine;dihydrochloride

1-morpholin-3-ylpentan-2-imine;dihydrochloride (PubChem CID 174268999) has the molecular formula C9H20Cl2N2O and a molecular weight of 243.18 g/mol. Its IUPAC name is 1-morpholin-3-ylpentan-2-imine;dihydrochloride.

Molecular Properties

Compound Name1-morpholin-3-ylpentan-2-imine;dihydrochloride
PubChem CID174268999
Molecular FormulaC9H20Cl2N2O
Molecular Weight243.18 g/mol
Exact Mass242.10
IUPAC Name1-morpholin-3-ylpentan-2-imine;dihydrochloride
SMILESCl.Cl.[H]/N=C(\CCC)CC1COCCN1
InChIInChI=1S/C9H18N2O.2ClH/c1-2-3-8(10)6-9-7-12-5-4-11-9;;/h9-11H,2-7H2,1H3;2*1H/b10-8+;;
InChIKeyIALXSWHRFQIERI-PIHABLKOSA-N
XLogP2.03
TPSA45.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-morpholin-3-ylpentan-2-imine;dihydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-3-ylpentan-2-imine;dihydrochloride?
The IUPAC name of 1-morpholin-3-ylpentan-2-imine;dihydrochloride (CID 174268999) is 1-morpholin-3-ylpentan-2-imine;dihydrochloride.
What is the SMILES notation for 1-morpholin-3-ylpentan-2-imine;dihydrochloride?
The canonical SMILES for 1-morpholin-3-ylpentan-2-imine;dihydrochloride is Cl.Cl.[H]/N=C(\CCC)CC1COCCN1.
What is the InChIKey of 1-morpholin-3-ylpentan-2-imine;dihydrochloride?
The InChIKey is IALXSWHRFQIERI-PIHABLKOSA-N. The full InChI is InChI=1S/C9H18N2O.2ClH/c1-2-3-8(10)6-9-7-12-5-4-11-9;;/h9-11H,2-7H2,1H3;2*1H/b10-8+;;.
What are the key properties of 1-morpholin-3-ylpentan-2-imine;dihydrochloride?
1-morpholin-3-ylpentan-2-imine;dihydrochloride has a molecular weight of 243.18 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-3-ylpentan-2-imine;dihydrochloride is sourced from PubChem (CID 174268999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).