2-(aminomethyl)morpholine-4-carboximidamide;dihydrochloride

C6H16Cl2N4O — CID 19422546

IUPAC2-(aminomethyl)morpholine-4-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)N1CCOC(CN)C1
InChIInChI=1S/C6H14N4O.2ClH/c7-3-5-4-10(6(8)9)1-2-11-5;;/h5H,1-4,7H2,(H3,8,9);2*1H
InChIKeyXQVCWTWYJWSVOT-UHFFFAOYSA-N
MW231.13 g/mol
LogP-0.62
Rot. Bonds1

About 2-(aminomethyl)morpholine-4-carboximidamide;dihydrochloride

2-(aminomethyl)morpholine-4-carboximidamide;dihydrochloride (PubChem CID 19422546) has the molecular formula C6H16Cl2N4O and a molecular weight of 231.13 g/mol. Its IUPAC name is 2-(aminomethyl)morpholine-4-carboximidamide;dihydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)morpholine-4-carboximidamide;dihydrochloride
PubChem CID19422546
Molecular FormulaC6H16Cl2N4O
Molecular Weight231.13 g/mol
Exact Mass230.07
IUPAC Name2-(aminomethyl)morpholine-4-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)N1CCOC(CN)C1
InChIInChI=1S/C6H14N4O.2ClH/c7-3-5-4-10(6(8)9)1-2-11-5;;/h5H,1-4,7H2,(H3,8,9);2*1H
InChIKeyXQVCWTWYJWSVOT-UHFFFAOYSA-N
XLogP-0.62
TPSA88.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

CID 19080910
CID 19080910
CID 66876689
CID 66876689
CID 67513884
CID 67513884
CID 173337149
CID 173337149
CID 173356401
CID 173356401
CID 51131456
CID 51131456
CID 52529679
CID 52529679
CID 52529681
CID 52529681
CID 52529683
CID 52529683
CID 78919928
CID 78919928
CID 78931979
CID 78931979
CID 78932036
CID 78932036

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)morpholine-4-carboximidamide;dihydrochloride?
The IUPAC name of 2-(aminomethyl)morpholine-4-carboximidamide;dihydrochloride (CID 19422546) is 2-(aminomethyl)morpholine-4-carboximidamide;dihydrochloride.
What is the SMILES notation for 2-(aminomethyl)morpholine-4-carboximidamide;dihydrochloride?
The canonical SMILES for 2-(aminomethyl)morpholine-4-carboximidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)N1CCOC(CN)C1.
What is the InChIKey of 2-(aminomethyl)morpholine-4-carboximidamide;dihydrochloride?
The InChIKey is XQVCWTWYJWSVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O.2ClH/c7-3-5-4-10(6(8)9)1-2-11-5;;/h5H,1-4,7H2,(H3,8,9);2*1H.
What are the key properties of 2-(aminomethyl)morpholine-4-carboximidamide;dihydrochloride?
2-(aminomethyl)morpholine-4-carboximidamide;dihydrochloride has a molecular weight of 231.13 g/mol, XLogP of -0.62, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)morpholine-4-carboximidamide;dihydrochloride is sourced from PubChem (CID 19422546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).