N'-[(3-butoxyphenyl)methyl]morpholine-4-carboximidamide

C16H25N3O2 — CID 111049500

IUPACN'-[(3-butoxyphenyl)methyl]morpholine-4-carboximidamide
SMILESCCCCOc1cccc(C/N=C(\N)N2CCOCC2)c1
InChIInChI=1S/C16H25N3O2/c1-2-3-9-21-15-6-4-5-14(12-15)13-18-16(17)19-7-10-20-11-8-19/h4-6,12H,2-3,7-11,13H2,1H3,(H2,17,18)
InChIKeyXQMMYWNPYUTRGN-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.01
Rot. Bonds6

About N'-[(3-butoxyphenyl)methyl]morpholine-4-carboximidamide

N'-[(3-butoxyphenyl)methyl]morpholine-4-carboximidamide (PubChem CID 111049500) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N'-[(3-butoxyphenyl)methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(3-butoxyphenyl)methyl]morpholine-4-carboximidamide
PubChem CID111049500
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN'-[(3-butoxyphenyl)methyl]morpholine-4-carboximidamide
SMILESCCCCOc1cccc(C/N=C(\N)N2CCOCC2)c1
InChIInChI=1S/C16H25N3O2/c1-2-3-9-21-15-6-4-5-14(12-15)13-18-16(17)19-7-10-20-11-8-19/h4-6,12H,2-3,7-11,13H2,1H3,(H2,17,18)
InChIKeyXQMMYWNPYUTRGN-UHFFFAOYSA-N
XLogP2.01
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(3-butoxyphenyl)methyl]piperidine-1-carboximidamide
CID 111049546
N'-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111047873
N'-[(3-phenylmethoxyphenyl)methyl]morpholine-4-carboximidamide
CID 111047716
N'-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111099549
N'-[[4-(2-methoxyphenoxy)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111808539
2-[(3-butoxyphenyl)methyl]-1-propan-2-ylguanidine
CID 111049510
N'-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]morpholine-4-carboximidamide
CID 120728055
N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
CID 111044863
1-(3-ethoxypropyl)-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 111084185
ethyl 4-[[N'-[(3-butoxyphenyl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111049528
N'-[3-(4-methoxyphenoxy)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111079416
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436

Frequently Asked Questions

What is the IUPAC name of N'-[(3-butoxyphenyl)methyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[(3-butoxyphenyl)methyl]morpholine-4-carboximidamide (CID 111049500) is N'-[(3-butoxyphenyl)methyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[(3-butoxyphenyl)methyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[(3-butoxyphenyl)methyl]morpholine-4-carboximidamide is CCCCOc1cccc(C/N=C(\N)N2CCOCC2)c1.
What is the InChIKey of N'-[(3-butoxyphenyl)methyl]morpholine-4-carboximidamide?
The InChIKey is XQMMYWNPYUTRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-3-9-21-15-6-4-5-14(12-15)13-18-16(17)19-7-10-20-11-8-19/h4-6,12H,2-3,7-11,13H2,1H3,(H2,17,18).
What are the key properties of N'-[(3-butoxyphenyl)methyl]morpholine-4-carboximidamide?
N'-[(3-butoxyphenyl)methyl]morpholine-4-carboximidamide has a molecular weight of 291.39 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-butoxyphenyl)methyl]morpholine-4-carboximidamide is sourced from PubChem (CID 111049500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).