N-(diaminomethylidene)-2,2,6,6-tetramethylmorpholine-4-carboximidamide

C10H21N5O — CID 102744287

IUPACN-(diaminomethylidene)-2,2,6,6-tetramethylmorpholine-4-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C10H21N5O/c1-9(2)5-15(6-10(3,4)16-9)8(13)14-7(11)12/h5-6H2,1-4H3,(H5,11,12,13,14)
InChIKeyDTHDLFLYEWDIHF-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.08
Rot. Bonds

About N-(diaminomethylidene)-2,2,6,6-tetramethylmorpholine-4-carboximidamide

N-(diaminomethylidene)-2,2,6,6-tetramethylmorpholine-4-carboximidamide (PubChem CID 102744287) has the molecular formula C10H21N5O and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(diaminomethylidene)-2,2,6,6-tetramethylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2,2,6,6-tetramethylmorpholine-4-carboximidamide
PubChem CID102744287
Molecular FormulaC10H21N5O
Molecular Weight227.31 g/mol
Exact Mass227.17
IUPAC NameN-(diaminomethylidene)-2,2,6,6-tetramethylmorpholine-4-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C10H21N5O/c1-9(2)5-15(6-10(3,4)16-9)8(13)14-7(11)12/h5-6H2,1-4H3,(H5,11,12,13,14)
InChIKeyDTHDLFLYEWDIHF-UHFFFAOYSA-N
XLogP0.08
TPSA100.72 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

N',2,6-trimethylmorpholine-4-carboximidamide
CID 62358592
N'-(N,N-dimethylcarbamimidoyl)morpholine-4-carboximidamide
CID 72699403
N'-(N,N-dimethylcarbamimidoyl)morpholine-4-carboximidamide
CID 123256261
N-[amino(dimethylamino)methylidene]morpholine-4-carboximidamide
CID 176521720
(NE)-N-[amino(dimethylamino)methylidene]morpholine-4-carboximidamide
CID 176522465
2,2-Dimethylmorpholine-4-carboximidamide
CID 43592933
2,2,6-Trimethylmorpholine-4-carboximidamide
CID 61955072
N',2,2,6-tetramethylmorpholine-4-carboximidamide
CID 62358789
N'-ethyl-2,6-dimethylmorpholine-4-carboximidamide
CID 62360847
2,6-dimethyl-N'-propylmorpholine-4-carboximidamide
CID 62360848
N'-ethyl-2-methylmorpholine-4-carboximidamide
CID 62360852
2-methyl-N'-propylmorpholine-4-carboximidamide
CID 62360853

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-2,2,6,6-tetramethylmorpholine-4-carboximidamide?
The IUPAC name of N-(diaminomethylidene)-2,2,6,6-tetramethylmorpholine-4-carboximidamide (CID 102744287) is N-(diaminomethylidene)-2,2,6,6-tetramethylmorpholine-4-carboximidamide.
What is the SMILES notation for N-(diaminomethylidene)-2,2,6,6-tetramethylmorpholine-4-carboximidamide?
The canonical SMILES for N-(diaminomethylidene)-2,2,6,6-tetramethylmorpholine-4-carboximidamide is [H]/N=C(\N=C(N)N)N1CC(C)(C)OC(C)(C)C1.
What is the InChIKey of N-(diaminomethylidene)-2,2,6,6-tetramethylmorpholine-4-carboximidamide?
The InChIKey is DTHDLFLYEWDIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O/c1-9(2)5-15(6-10(3,4)16-9)8(13)14-7(11)12/h5-6H2,1-4H3,(H5,11,12,13,14).
What are the key properties of N-(diaminomethylidene)-2,2,6,6-tetramethylmorpholine-4-carboximidamide?
N-(diaminomethylidene)-2,2,6,6-tetramethylmorpholine-4-carboximidamide has a molecular weight of 227.31 g/mol, XLogP of 0.08, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2,2,6,6-tetramethylmorpholine-4-carboximidamide is sourced from PubChem (CID 102744287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).