2-[[3-(morpholin-4-ylmethyl)phenyl]methylideneamino]guanidine

C13H19N5O — CID 168590992

IUPAC2-[[3-(morpholin-4-ylmethyl)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C13H19N5O/c14-13(15)17-16-9-11-2-1-3-12(8-11)10-18-4-6-19-7-5-18/h1-3,8-9H,4-7,10H2,(H4,14,15,17)
InChIKeyRVNRXZGOAWIOHB-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.13
Rot. Bonds4

About 2-[[3-(morpholin-4-ylmethyl)phenyl]methylideneamino]guanidine

2-[[3-(morpholin-4-ylmethyl)phenyl]methylideneamino]guanidine (PubChem CID 168590992) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-[[3-(morpholin-4-ylmethyl)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[3-(morpholin-4-ylmethyl)phenyl]methylideneamino]guanidine
PubChem CID168590992
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-[[3-(morpholin-4-ylmethyl)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C13H19N5O/c14-13(15)17-16-9-11-2-1-3-12(8-11)10-18-4-6-19-7-5-18/h1-3,8-9H,4-7,10H2,(H4,14,15,17)
InChIKeyRVNRXZGOAWIOHB-UHFFFAOYSA-N
XLogP0.13
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

benzyl N'-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylideneamino]carbamimidothioate
CID 168613535
N'-hydroxy-3-(morpholin-4-ylmethyl)benzenecarboximidamide
CID 24694925
2-N-[[3-(morpholin-4-ylmethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625935
3-[[16-[(3-aminophenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]aniline
CID 15495103
ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol
CID 164591484
[3-(morpholin-4-ylmethyl)phenyl]thiourea
CID 97033783
[[3-(pyrrolidin-1-ylmethyl)phenyl]methylideneamino]thiourea
CID 168536231
3-[3-(morpholin-4-ylmethyl)phenyl]phenol
CID 39755731
[3-(morpholin-4-ylmethyl)phenyl]boronic acid
CID 11031409
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
2-[3-(morpholin-4-ylmethyl)phenyl]ethylphosphonic acid
CID 155789739
4-[(3-bromophenyl)methyl]morpholine;hydrochloride
CID 17249740

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(morpholin-4-ylmethyl)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[3-(morpholin-4-ylmethyl)phenyl]methylideneamino]guanidine (CID 168590992) is 2-[[3-(morpholin-4-ylmethyl)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[3-(morpholin-4-ylmethyl)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[3-(morpholin-4-ylmethyl)phenyl]methylideneamino]guanidine is NC(N)=NN=Cc1cccc(CN2CCOCC2)c1.
What is the InChIKey of 2-[[3-(morpholin-4-ylmethyl)phenyl]methylideneamino]guanidine?
The InChIKey is RVNRXZGOAWIOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c14-13(15)17-16-9-11-2-1-3-12(8-11)10-18-4-6-19-7-5-18/h1-3,8-9H,4-7,10H2,(H4,14,15,17).
What are the key properties of 2-[[3-(morpholin-4-ylmethyl)phenyl]methylideneamino]guanidine?
2-[[3-(morpholin-4-ylmethyl)phenyl]methylideneamino]guanidine has a molecular weight of 261.33 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(morpholin-4-ylmethyl)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168590992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).