2-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]guanidine

C16H25N5O2 — CID 168592435

IUPAC2-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc(OCCCCN2CCOCC2)cc1
InChIInChI=1S/C16H25N5O2/c17-16(18)20-19-13-14-3-5-15(6-4-14)23-10-2-1-7-21-8-11-22-12-9-21/h3-6,13H,1-2,7-12H2,(H4,17,18,20)
InChIKeyYUFYACHIHRDEKC-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.79
Rot. Bonds8

About 2-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]guanidine

2-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]guanidine (PubChem CID 168592435) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]guanidine
PubChem CID168592435
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name2-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc(OCCCCN2CCOCC2)cc1
InChIInChI=1S/C16H25N5O2/c17-16(18)20-19-13-14-3-5-15(6-4-14)23-10-2-1-7-21-8-11-22-12-9-21/h3-6,13H,1-2,7-12H2,(H4,17,18,20)
InChIKeyYUFYACHIHRDEKC-UHFFFAOYSA-N
XLogP0.79
TPSA98.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(4-piperidin-1-ylbutoxy)phenyl]methylideneamino]guanidine
CID 168592438
[[4-(3-morpholin-4-ylpropoxy)phenyl]methylideneamino]urea
CID 168533014
N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]aniline
CID 169383010
(Z)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide
CID 170877328
2-[2-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 168621320
2-N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627162
(2E,6E)-2,6-bis[[4-(4-morpholin-4-ylbutoxy)phenyl]methylidene]cyclohexan-1-one
CID 71518857
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
4-[6-(4-tert-butylphenoxy)hexyl]morpholine
CID 2238032
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
1,7-bis[4-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-dione
CID 123906714
(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid
CID 18363070

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]guanidine (CID 168592435) is 2-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]guanidine is NC(N)=NN=Cc1ccc(OCCCCN2CCOCC2)cc1.
What is the InChIKey of 2-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]guanidine?
The InChIKey is YUFYACHIHRDEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c17-16(18)20-19-13-14-3-5-15(6-4-14)23-10-2-1-7-21-8-11-22-12-9-21/h3-6,13H,1-2,7-12H2,(H4,17,18,20).
What are the key properties of 2-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]guanidine?
2-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]guanidine has a molecular weight of 319.41 g/mol, XLogP of 0.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168592435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).