4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide

C15H23IN4O2 — CID 111040924

IUPAC4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
SMILESCN(C)C(=O)c1ccc(C/N=C(\N)N2CCOCC2)cc1.I
InChIInChI=1S/C15H22N4O2.HI/c1-18(2)14(20)13-5-3-12(4-6-13)11-17-15(16)19-7-9-21-10-8-19;/h3-6H,7-11H2,1-2H3,(H2,16,17);1H
InChIKeyFVDXDDPPYZACJJ-UHFFFAOYSA-N
MW418.28 g/mol
LogP1.15
Rot. Bonds3

About 4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide

4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide (PubChem CID 111040924) has the molecular formula C15H23IN4O2 and a molecular weight of 418.28 g/mol. Its IUPAC name is 4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide.

Molecular Properties

Compound Name4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
PubChem CID111040924
Molecular FormulaC15H23IN4O2
Molecular Weight418.28 g/mol
Exact Mass418.09
IUPAC Name4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
SMILESCN(C)C(=O)c1ccc(C/N=C(\N)N2CCOCC2)cc1.I
InChIInChI=1S/C15H22N4O2.HI/c1-18(2)14(20)13-5-3-12(4-6-13)11-17-15(16)19-7-9-21-10-8-19;/h3-6H,7-11H2,1-2H3,(H2,16,17);1H
InChIKeyFVDXDDPPYZACJJ-UHFFFAOYSA-N
XLogP1.15
TPSA71.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]benzoate
CID 111024014
4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-butylbenzamide;hydroiodide
CID 111070775
N'-[(4-tert-butylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111045453
N'-[[4-(diethylaminomethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111036077
N-[4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]-2-methylpropanamide
CID 111040430
1-[4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]-3-propan-2-ylurea;hydroiodide
CID 111067239
N,N-dimethyl-4-(morpholin-4-ylmethyl)benzamide
CID 43918660
N'-[[4-(phenylmethoxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111053620
N'-[(4-morpholin-4-ylphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111063137
4-[[bis(dimethylamino)methylideneamino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111040962
N'-[[4-(2-methoxyphenoxy)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111808539
N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
CID 111044863

Frequently Asked Questions

What is the IUPAC name of 4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide?
The IUPAC name of 4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide (CID 111040924) is 4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide.
What is the SMILES notation for 4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide?
The canonical SMILES for 4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide is CN(C)C(=O)c1ccc(C/N=C(\N)N2CCOCC2)cc1.I.
What is the InChIKey of 4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide?
The InChIKey is FVDXDDPPYZACJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2.HI/c1-18(2)14(20)13-5-3-12(4-6-13)11-17-15(16)19-7-9-21-10-8-19;/h3-6H,7-11H2,1-2H3,(H2,16,17);1H.
What are the key properties of 4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide?
4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide has a molecular weight of 418.28 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide is sourced from PubChem (CID 111040924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).