1,2-dimethyl-3-(2-morpholin-4-ylphenyl)-1-pentylguanidine

C18H30N4O — CID 150037240

IUPAC1,2-dimethyl-3-(2-morpholin-4-ylphenyl)-1-pentylguanidine
SMILESCCCCCN(C)/C(=N\C)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C18H30N4O/c1-4-5-8-11-21(3)18(19-2)20-16-9-6-7-10-17(16)22-12-14-23-15-13-22/h6-7,9-10H,4-5,8,11-15H2,1-3H3,(H,19,20)
InChIKeyDINDIWUZFLRNQW-UHFFFAOYSA-N
MW318.47 g/mol
LogP3.04
Rot. Bonds6

About 1,2-dimethyl-3-(2-morpholin-4-ylphenyl)-1-pentylguanidine

1,2-dimethyl-3-(2-morpholin-4-ylphenyl)-1-pentylguanidine (PubChem CID 150037240) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is 1,2-dimethyl-3-(2-morpholin-4-ylphenyl)-1-pentylguanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-(2-morpholin-4-ylphenyl)-1-pentylguanidine
PubChem CID150037240
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name1,2-dimethyl-3-(2-morpholin-4-ylphenyl)-1-pentylguanidine
SMILESCCCCCN(C)/C(=N\C)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C18H30N4O/c1-4-5-8-11-21(3)18(19-2)20-16-9-6-7-10-17(16)22-12-14-23-15-13-22/h6-7,9-10H,4-5,8,11-15H2,1-3H3,(H,19,20)
InChIKeyDINDIWUZFLRNQW-UHFFFAOYSA-N
XLogP3.04
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 53.04
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'-butyl-N'-methyl-N-(2-morpholin-4-ylphenyl)oxamide
CID 108527465
2-[acetyl(pentyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113166804
N-butyl-N-methyl-3-(2-morpholin-4-ylanilino)propanamide
CID 109032404
methyl N'-methyl-N-(2-morpholin-4-ylphenyl)carbamimidothioate
CID 15746494
1-(2-morpholin-4-ylphenyl)-3-propylurea
CID 110755134
2-[acetyl(propyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113158058
N-(2-morpholin-4-ylphenyl)-4-pentylpiperazine-1-carboxamide
CID 113110823
1,2-dimethyl-3-[(2-morpholin-4-ylphenyl)methyl]-1-pent-4-enylguanidine
CID 109499360
2-ethyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 110756603
N-[3-(dimethylamino)propyl]-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108524772
N-butyl-N-methyl-5-(2-morpholin-4-ylanilino)pyrazine-2-carboxamide
CID 109288305
N-butyl-N-methyl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 109161578

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(2-morpholin-4-ylphenyl)-1-pentylguanidine?
The IUPAC name of 1,2-dimethyl-3-(2-morpholin-4-ylphenyl)-1-pentylguanidine (CID 150037240) is 1,2-dimethyl-3-(2-morpholin-4-ylphenyl)-1-pentylguanidine.
What is the SMILES notation for 1,2-dimethyl-3-(2-morpholin-4-ylphenyl)-1-pentylguanidine?
The canonical SMILES for 1,2-dimethyl-3-(2-morpholin-4-ylphenyl)-1-pentylguanidine is CCCCCN(C)/C(=N\C)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 1,2-dimethyl-3-(2-morpholin-4-ylphenyl)-1-pentylguanidine?
The InChIKey is DINDIWUZFLRNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-4-5-8-11-21(3)18(19-2)20-16-9-6-7-10-17(16)22-12-14-23-15-13-22/h6-7,9-10H,4-5,8,11-15H2,1-3H3,(H,19,20).
What are the key properties of 1,2-dimethyl-3-(2-morpholin-4-ylphenyl)-1-pentylguanidine?
1,2-dimethyl-3-(2-morpholin-4-ylphenyl)-1-pentylguanidine has a molecular weight of 318.47 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(2-morpholin-4-ylphenyl)-1-pentylguanidine is sourced from PubChem (CID 150037240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).