1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine

C24H43N5O — CID 110997973

IUPAC1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine
SMILESCCN(CC)CCCC(C)N/C(=N\C)NCc1cccc(CN2CCOC(C)C2)c1
InChIInChI=1S/C24H43N5O/c1-6-28(7-2)13-9-10-20(3)27-24(25-5)26-17-22-11-8-12-23(16-22)19-29-14-15-30-21(4)18-29/h8,11-12,16,20-21H,6-7,9-10,13-15,17-19H2,1-5H3,(H2,25,26,27)
InChIKeyAMKJGGUYQYTMHD-UHFFFAOYSA-N
MW417.64 g/mol
LogP3.08
Rot. Bonds11

About 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine

1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine (PubChem CID 110997973) has the molecular formula C24H43N5O and a molecular weight of 417.64 g/mol. Its IUPAC name is 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine.

Molecular Properties

Compound Name1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine
PubChem CID110997973
Molecular FormulaC24H43N5O
Molecular Weight417.64 g/mol
Exact Mass417.35
IUPAC Name1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine
SMILESCCN(CC)CCCC(C)N/C(=N\C)NCc1cccc(CN2CCOC(C)C2)c1
InChIInChI=1S/C24H43N5O/c1-6-28(7-2)13-9-10-20(3)27-24(25-5)26-17-22-11-8-12-23(16-22)19-29-14-15-30-21(4)18-29/h8,11-12,16,20-21H,6-7,9-10,13-15,17-19H2,1-5H3,(H2,25,26,27)
InChIKeyAMKJGGUYQYTMHD-UHFFFAOYSA-N
XLogP3.08
TPSA52.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.64
LogP ≤ 53.08
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'}

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Related Compounds

1-[3-[di(propan-2-yl)amino]propyl]-2-methyl-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111691249
2-methyl-1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-pentylguanidine
CID 111129365
2-methyl-1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-[(3-methylphenyl)methyl]guanidine
CID 111900889
1-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine
CID 111957681
1-[5-(diethylamino)pentan-2-yl]-3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylguanidine
CID 110997805
1-[5-(diethylamino)pentan-2-yl]-3-[[3-[(dimethylamino)methyl]phenyl]methyl]-2-methylguanidine;hydroiodide
CID 110999062
2-methyl-1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111082865
N,N-dimethyl-4-[[[N'-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]carbamimidoyl]amino]methyl]benzamide
CID 111874701
1-[5-(diethylamino)pentan-2-yl]-3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 110997804
1-(3-methoxypropyl)-2-methyl-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 110973660
1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine
CID 111854550
N',3-dimethyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide
CID 111144848

Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine?
The IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine (CID 110997973) is 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine.
What is the SMILES notation for 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine?
The canonical SMILES for 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine is CCN(CC)CCCC(C)N/C(=N\C)NCc1cccc(CN2CCOC(C)C2)c1.
What is the InChIKey of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine?
The InChIKey is AMKJGGUYQYTMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N5O/c1-6-28(7-2)13-9-10-20(3)27-24(25-5)26-17-22-11-8-12-23(16-22)19-29-14-15-30-21(4)18-29/h8,11-12,16,20-21H,6-7,9-10,13-15,17-19H2,1-5H3,(H2,25,26,27).
What are the key properties of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine?
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine has a molecular weight of 417.64 g/mol, XLogP of 3.08, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine is sourced from PubChem (CID 110997973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).