N'-[(4-tert-butylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide

C16H26IN3O — CID 111045453

IUPACN'-[(4-tert-butylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCC(C)(C)c1ccc(C/N=C(\N)N2CCOCC2)cc1.I
InChIInChI=1S/C16H25N3O.HI/c1-16(2,3)14-6-4-13(5-7-14)12-18-15(17)19-8-10-20-11-9-19;/h4-7H,8-12H2,1-3H3,(H2,17,18);1H
InChIKeyGEEIBLISPINAFU-UHFFFAOYSA-N
MW403.31 g/mol
LogP2.75
Rot. Bonds2

About N'-[(4-tert-butylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide

N'-[(4-tert-butylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 111045453) has the molecular formula C16H26IN3O and a molecular weight of 403.31 g/mol. Its IUPAC name is N'-[(4-tert-butylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(4-tert-butylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID111045453
Molecular FormulaC16H26IN3O
Molecular Weight403.31 g/mol
Exact Mass403.11
IUPAC NameN'-[(4-tert-butylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCC(C)(C)c1ccc(C/N=C(\N)N2CCOCC2)cc1.I
InChIInChI=1S/C16H25N3O.HI/c1-16(2,3)14-6-4-13(5-7-14)12-18-15(17)19-8-10-20-11-9-19;/h4-7H,8-12H2,1-3H3,(H2,17,18);1H
InChIKeyGEEIBLISPINAFU-UHFFFAOYSA-N
XLogP2.75
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 52.75
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[[4-(diethylaminomethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111036077
4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111040924
N'-[[4-(phenylmethoxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111053620
N'-[2-(4-ethylphenyl)-2-methylpropyl]morpholine-4-carboximidamide
CID 111859849
methyl 4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]benzoate
CID 111024014
N'-[[4-(2-methoxyphenoxy)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111808539
4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-butylbenzamide;hydroiodide
CID 111070775
N'-[2-(4-bromophenyl)-2-methylpropyl]morpholine-4-carboximidamide;hydroiodide
CID 111070095
N'-[(4-morpholin-4-ylphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111063137
1-[4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]-3-propan-2-ylurea;hydroiodide
CID 111067239
N-[4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]-2-methylpropanamide
CID 111040430
3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-tert-butylbenzamide;hydroiodide
CID 111100464

Frequently Asked Questions

What is the IUPAC name of N'-[(4-tert-butylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[(4-tert-butylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide (CID 111045453) is N'-[(4-tert-butylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(4-tert-butylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(4-tert-butylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide is CC(C)(C)c1ccc(C/N=C(\N)N2CCOCC2)cc1.I.
What is the InChIKey of N'-[(4-tert-butylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is GEEIBLISPINAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.HI/c1-16(2,3)14-6-4-13(5-7-14)12-18-15(17)19-8-10-20-11-9-19;/h4-7H,8-12H2,1-3H3,(H2,17,18);1H.
What are the key properties of N'-[(4-tert-butylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide?
N'-[(4-tert-butylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 403.31 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-tert-butylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111045453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).