N'-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine

C8H19N3O — CID 79171896

IUPACN'-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine
SMILESCN1CCOC(CNCCN)C1
InChIInChI=1S/C8H19N3O/c1-11-4-5-12-8(7-11)6-10-3-2-9/h8,10H,2-7,9H2,1H3
InChIKeyFCILCBVGPWVUNS-UHFFFAOYSA-N
MW173.26 g/mol
LogP-1.13
Rot. Bonds4

About N'-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine

N'-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine (PubChem CID 79171896) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is N'-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine
PubChem CID79171896
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC NameN'-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine
SMILESCN1CCOC(CNCCN)C1
InChIInChI=1S/C8H19N3O/c1-11-4-5-12-8(7-11)6-10-3-2-9/h8,10H,2-7,9H2,1H3
InChIKeyFCILCBVGPWVUNS-UHFFFAOYSA-N
XLogP-1.13
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine (CID 79171896) is N'-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine is CN1CCOC(CNCCN)C1.
What is the InChIKey of N'-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is FCILCBVGPWVUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-11-4-5-12-8(7-11)6-10-3-2-9/h8,10H,2-7,9H2,1H3.
What are the key properties of N'-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine?
N'-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 173.26 g/mol, XLogP of -1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 79171896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).