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

C11H24ClN5O — CID 46214701

IUPACN-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N=C(N)N)N1CCOC(C(CC)CC)C1
InChIInChI=1S/C11H23N5O.ClH/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);1H
InChIKeyNOFGYWWHACCONT-UHFFFAOYSA-N
MW277.80 g/mol
LogP0.75
Rot. Bonds3

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

N-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide;hydrochloride (PubChem CID 46214701) has the molecular formula C11H24ClN5O and a molecular weight of 277.80 g/mol. Its IUPAC name is N-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide;hydrochloride
PubChem CID46214701
Molecular FormulaC11H24ClN5O
Molecular Weight277.80 g/mol
Exact Mass277.17
IUPAC NameN-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N=C(N)N)N1CCOC(C(CC)CC)C1
InChIInChI=1S/C11H23N5O.ClH/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);1H
InChIKeyNOFGYWWHACCONT-UHFFFAOYSA-N
XLogP0.75
TPSA100.72 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 50.75
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-(2,2-Dimethylpropyl)morpholine-4-carboximidamide
CID 67629081
N-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide
CID 46214702
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
N'-ethyl-3-propoxypiperidine-1-carboximidamide
CID 62362575
3-propoxy-N'-propylpiperidine-1-carboximidamide
CID 62362576
N'-(2-methylpropyl)-3-propoxypiperidine-1-carboximidamide
CID 62362799
3-ethoxy-N'-ethylpiperidine-1-carboximidamide
CID 62362800

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide;hydrochloride?
The IUPAC name of N-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide;hydrochloride (CID 46214701) is N-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide;hydrochloride.
What is the SMILES notation for N-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide;hydrochloride?
The canonical SMILES for N-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide;hydrochloride is Cl.[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;hydrochloride?
The InChIKey is NOFGYWWHACCONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5O.ClH/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);1H.
What are the key properties of N-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide;hydrochloride?
N-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 0.75, 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;hydrochloride is sourced from PubChem (CID 46214701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).