N-(4-methylphenyl)-N'-propan-2-ylmorpholine-4-carboximidamide

C15H23N3O — CID 132603377

IUPACN-(4-methylphenyl)-N'-propan-2-ylmorpholine-4-carboximidamide
SMILESCc1ccc(N/C(=N/C(C)C)N2CCOCC2)cc1
InChIInChI=1S/C15H23N3O/c1-12(2)16-15(18-8-10-19-11-9-18)17-14-6-4-13(3)5-7-14/h4-7,12H,8-11H2,1-3H3,(H,16,17)
InChIKeySXXJVGSLUYFNOC-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.50
Rot. Bonds2

About N-(4-methylphenyl)-N'-propan-2-ylmorpholine-4-carboximidamide

N-(4-methylphenyl)-N'-propan-2-ylmorpholine-4-carboximidamide (PubChem CID 132603377) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(4-methylphenyl)-N'-propan-2-ylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N'-propan-2-ylmorpholine-4-carboximidamide
PubChem CID132603377
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(4-methylphenyl)-N'-propan-2-ylmorpholine-4-carboximidamide
SMILESCc1ccc(N/C(=N/C(C)C)N2CCOCC2)cc1
InChIInChI=1S/C15H23N3O/c1-12(2)16-15(18-8-10-19-11-9-18)17-14-6-4-13(3)5-7-14/h4-7,12H,8-11H2,1-3H3,(H,16,17)
InChIKeySXXJVGSLUYFNOC-UHFFFAOYSA-N
XLogP2.50
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.50
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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Related Compounds

4-(Morpholinomethyl)aniline
CID 776851
N-[4-(propan-2-yl)phenyl]morpholine-4-carboxamide
CID 669753
N-(4-((morpholin-4-yl)methyl)phenyl)acetamide
CID 783020
4-(N-(P-Tolyl)carbamoyl)morpholine
CID 790704
4-Morpholinobenzylamine
CID 2776458
N-(2-methylphenyl)morpholine-4-carbothioamide
CID 700015
N-[4-(butan-2-yl)phenyl]morpholine-4-carboxamide
CID 2880620
1-(3-Methylphenyl)-3-[3-(morpholin-4-yl)propyl]thiourea
CID 2257807
6-Ethoxy-N-(2-morpholin-4-yl-ethyl)-N'-p-tolyl-[1,3,5]triazine-2,4-diamine
CID 1109291
4-Morpholinecarboxamide, N-(2,4-dimethylphenyl)-
CID 2306921
Morpholine, 4-(p-anilinobenzyl)-
CID 100777
4-(N-(M-Tolyl)carbamoyl)morpholine
CID 792284

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N'-propan-2-ylmorpholine-4-carboximidamide?
The IUPAC name of N-(4-methylphenyl)-N'-propan-2-ylmorpholine-4-carboximidamide (CID 132603377) is N-(4-methylphenyl)-N'-propan-2-ylmorpholine-4-carboximidamide.
What is the SMILES notation for N-(4-methylphenyl)-N'-propan-2-ylmorpholine-4-carboximidamide?
The canonical SMILES for N-(4-methylphenyl)-N'-propan-2-ylmorpholine-4-carboximidamide is Cc1ccc(N/C(=N/C(C)C)N2CCOCC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N'-propan-2-ylmorpholine-4-carboximidamide?
The InChIKey is SXXJVGSLUYFNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12(2)16-15(18-8-10-19-11-9-18)17-14-6-4-13(3)5-7-14/h4-7,12H,8-11H2,1-3H3,(H,16,17).
What are the key properties of N-(4-methylphenyl)-N'-propan-2-ylmorpholine-4-carboximidamide?
N-(4-methylphenyl)-N'-propan-2-ylmorpholine-4-carboximidamide has a molecular weight of 261.37 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N'-propan-2-ylmorpholine-4-carboximidamide is sourced from PubChem (CID 132603377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).