N-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide

C11H23N5O — CID 46214702

IUPACN-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCOC(C(CC)CC)C1
InChIInChI=1S/C11H23N5O/c1-3-8(4-2)9-7-16(5-6-17-9)11(14)15-10(12)13/h8-9H,3-7H2,1-2H3,(H5,12,13,14,15)
InChIKeyCDFZKJJINNBKAF-UHFFFAOYSA-N
MW241.34 g/mol
LogP0.33
Rot. Bonds3

About N-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide

N-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide (PubChem CID 46214702) has the molecular formula C11H23N5O and a molecular weight of 241.34 g/mol. Its IUPAC name is N-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide
PubChem CID46214702
Molecular FormulaC11H23N5O
Molecular Weight241.34 g/mol
Exact Mass241.19
IUPAC NameN-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCOC(C(CC)CC)C1
InChIInChI=1S/C11H23N5O/c1-3-8(4-2)9-7-16(5-6-17-9)11(14)15-10(12)13/h8-9H,3-7H2,1-2H3,(H5,12,13,14,15)
InChIKeyCDFZKJJINNBKAF-UHFFFAOYSA-N
XLogP0.33
TPSA100.72 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 50.33
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

2-methyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboximidamide
CID 120661778
2-methyl-N'-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]morpholine-4-carboximidamide
CID 120662176
N'-[2-(1-fluorocyclobutyl)ethyl]-2-methylmorpholine-4-carboximidamide
CID 121767540
2-(2,2-Dimethylpropyl)morpholine-4-carboximidamide
CID 67629081
N-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide;hydrochloride
CID 46214701
1-(2-Methoxyethyl)-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
CID 51131563
N'-tert-butyl-3-propoxypiperidine-1-carboximidamide
CID 55063809
3-Propoxypiperidine-1-carboximidamide
CID 61573275
3-Ethoxypiperidine-1-carboximidamide
CID 61573303
N'-methyl-3-propoxypiperidine-1-carboximidamide
CID 62360806
3-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 62360997
2,6-dimethyl-N'-(2-methylpropyl)morpholine-4-carboximidamide
CID 62361027

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide?
The IUPAC name of N-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide (CID 46214702) is N-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide.
What is the SMILES notation for N-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide?
The canonical SMILES for N-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide is [H]/N=C(\N=C(N)N)N1CCOC(C(CC)CC)C1.
What is the InChIKey of N-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide?
The InChIKey is CDFZKJJINNBKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5O/c1-3-8(4-2)9-7-16(5-6-17-9)11(14)15-10(12)13/h8-9H,3-7H2,1-2H3,(H5,12,13,14,15).
What are the key properties of N-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide?
N-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide has a molecular weight of 241.34 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide is sourced from PubChem (CID 46214702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).