morpholine-2,2-diamine

C4H11N3O — CID 174971872

IUPACmorpholine-2,2-diamine
SMILESNC1(N)CNCCO1
InChIInChI=1S/C4H11N3O/c5-4(6)3-7-1-2-8-4/h7H,1-3,5-6H2
InChIKeyPLTGOYZUQGDZMP-UHFFFAOYSA-N
MW117.15 g/mol
LogP-1.82
Rot. Bonds

About morpholine-2,2-diamine

morpholine-2,2-diamine (PubChem CID 174971872) has the molecular formula C4H11N3O and a molecular weight of 117.15 g/mol. Its IUPAC name is morpholine-2,2-diamine.

Molecular Properties

Compound Namemorpholine-2,2-diamine
PubChem CID174971872
Molecular FormulaC4H11N3O
Molecular Weight117.15 g/mol
Exact Mass117.09
IUPAC Namemorpholine-2,2-diamine
SMILESNC1(N)CNCCO1
InChIInChI=1S/C4H11N3O/c5-4(6)3-7-1-2-8-4/h7H,1-3,5-6H2
InChIKeyPLTGOYZUQGDZMP-UHFFFAOYSA-N
XLogP-1.82
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-1.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-diiodomorpholine
CID 141174185
6-oxa-2,9-diazaspiro[4.5]decane
CID 23135352
9,9-difluoro-1-oxa-4-azaspiro[5.5]undecane
CID 138991470
2-cyclopropylmorpholine-2-carboxamide
CID 174975908
1-oxa-4,8-diazaspiro[5.5]undecane
CID 66799065
5-oxa-2-thia-8-azaspiro[3.5]nonane
CID 83479262
1,9-dioxa-4-azaspiro[5.5]undecane
CID 65122347
(2S)-2-methylmorpholine-2-carboxamide
CID 92632785
(2R)-2-methylmorpholine-2-carboxamide
CID 92632786
(2S)-2-tert-butyl-2-methylmorpholine
CID 129375602
2,5-dioxa-8-azaspiro[3.5]nonane;ethane
CID 142444795
2-methoxy-2-methylmorpholine
CID 174297458

Frequently Asked Questions

What is the IUPAC name of morpholine-2,2-diamine?
The IUPAC name of morpholine-2,2-diamine (CID 174971872) is morpholine-2,2-diamine.
What is the SMILES notation for morpholine-2,2-diamine?
The canonical SMILES for morpholine-2,2-diamine is NC1(N)CNCCO1.
What is the InChIKey of morpholine-2,2-diamine?
The InChIKey is PLTGOYZUQGDZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O/c5-4(6)3-7-1-2-8-4/h7H,1-3,5-6H2.
What are the key properties of morpholine-2,2-diamine?
morpholine-2,2-diamine has a molecular weight of 117.15 g/mol, XLogP of -1.82, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine-2,2-diamine is sourced from PubChem (CID 174971872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).