(3R)-3-methyl-N'-(2-methylpropyl)morpholine-4-carboximidamide

C10H21N3O — CID 155417878

IUPAC(3R)-3-methyl-N'-(2-methylpropyl)morpholine-4-carboximidamide
SMILESCC(C)C/N=C(\N)N1CCOC[C@H]1C
InChIInChI=1S/C10H21N3O/c1-8(2)6-12-10(11)13-4-5-14-7-9(13)3/h8-9H,4-7H2,1-3H3,(H2,11,12)/t9-/m1/s1
InChIKeyZGTZDHLGBSPYPG-SECBINFHSA-N
MW199.30 g/mol
LogP0.68
Rot. Bonds2

About (3R)-3-methyl-N'-(2-methylpropyl)morpholine-4-carboximidamide

(3R)-3-methyl-N'-(2-methylpropyl)morpholine-4-carboximidamide (PubChem CID 155417878) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is (3R)-3-methyl-N'-(2-methylpropyl)morpholine-4-carboximidamide.

Molecular Properties

Compound Name(3R)-3-methyl-N'-(2-methylpropyl)morpholine-4-carboximidamide
PubChem CID155417878
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name(3R)-3-methyl-N'-(2-methylpropyl)morpholine-4-carboximidamide
SMILESCC(C)C/N=C(\N)N1CCOC[C@H]1C
InChIInChI=1S/C10H21N3O/c1-8(2)6-12-10(11)13-4-5-14-7-9(13)3/h8-9H,4-7H2,1-3H3,(H2,11,12)/t9-/m1/s1
InChIKeyZGTZDHLGBSPYPG-SECBINFHSA-N
XLogP0.68
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-N'-(2-methylpropyl)morpholine-4-carboximidamide?
The IUPAC name of (3R)-3-methyl-N'-(2-methylpropyl)morpholine-4-carboximidamide (CID 155417878) is (3R)-3-methyl-N'-(2-methylpropyl)morpholine-4-carboximidamide.
What is the SMILES notation for (3R)-3-methyl-N'-(2-methylpropyl)morpholine-4-carboximidamide?
The canonical SMILES for (3R)-3-methyl-N'-(2-methylpropyl)morpholine-4-carboximidamide is CC(C)C/N=C(\N)N1CCOC[C@H]1C.
What is the InChIKey of (3R)-3-methyl-N'-(2-methylpropyl)morpholine-4-carboximidamide?
The InChIKey is ZGTZDHLGBSPYPG-SECBINFHSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(2)6-12-10(11)13-4-5-14-7-9(13)3/h8-9H,4-7H2,1-3H3,(H2,11,12)/t9-/m1/s1.
What are the key properties of (3R)-3-methyl-N'-(2-methylpropyl)morpholine-4-carboximidamide?
(3R)-3-methyl-N'-(2-methylpropyl)morpholine-4-carboximidamide has a molecular weight of 199.30 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-N'-(2-methylpropyl)morpholine-4-carboximidamide is sourced from PubChem (CID 155417878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).