1-[5-(diethylamino)pentan-2-yl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-methylguanidine

C22H38N4O — CID 110999139

IUPAC1-[5-(diethylamino)pentan-2-yl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-methylguanidine
SMILESCCN(CC)CCCC(C)N/C(=N\C)NCC1(c2ccccc2OC)CC1
InChIInChI=1S/C22H38N4O/c1-6-26(7-2)16-10-11-18(3)25-21(23-4)24-17-22(14-15-22)19-12-8-9-13-20(19)27-5/h8-9,12-13,18H,6-7,10-11,14-17H2,1-5H3,(H2,23,24,25)
InChIKeyUJDCAGYMXQLUDT-UHFFFAOYSA-N
MW374.57 g/mol
LogP3.40
Rot. Bonds11

About 1-[5-(diethylamino)pentan-2-yl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-methylguanidine

1-[5-(diethylamino)pentan-2-yl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-methylguanidine (PubChem CID 110999139) has the molecular formula C22H38N4O and a molecular weight of 374.57 g/mol. Its IUPAC name is 1-[5-(diethylamino)pentan-2-yl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[5-(diethylamino)pentan-2-yl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-methylguanidine
PubChem CID110999139
Molecular FormulaC22H38N4O
Molecular Weight374.57 g/mol
Exact Mass374.30
IUPAC Name1-[5-(diethylamino)pentan-2-yl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-methylguanidine
SMILESCCN(CC)CCCC(C)N/C(=N\C)NCC1(c2ccccc2OC)CC1
InChIInChI=1S/C22H38N4O/c1-6-26(7-2)16-10-11-18(3)25-21(23-4)24-17-22(14-15-22)19-12-8-9-13-20(19)27-5/h8-9,12-13,18H,6-7,10-11,14-17H2,1-5H3,(H2,23,24,25)
InChIKeyUJDCAGYMXQLUDT-UHFFFAOYSA-N
XLogP3.40
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.57
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-methyl-3-(1-phenylethyl)guanidine
CID 110949244
1-[5-(diethylamino)pentan-2-yl]-3-[(2,3-dimethoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111000156
1-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine
CID 111401869
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(2-methylphenoxy)ethyl]guanidine
CID 111000113
1-[5-(diethylamino)pentan-2-yl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-methylguanidine
CID 110997915
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine
CID 111826817
1-(3-hydroxy-2-phenylpropyl)-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-methylguanidine;hydroiodide
CID 109407728
1-[[2-(cyclopropylmethoxy)phenyl]methyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine
CID 111826793
1-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-methyl-3-(4-methylsulfanylbutyl)guanidine
CID 111629484
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide
CID 111826816
1-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-3-(1-methoxypropan-2-yl)urea
CID 60612373
1-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109471275

Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-methylguanidine?
The IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-methylguanidine (CID 110999139) is 1-[5-(diethylamino)pentan-2-yl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-methylguanidine.
What is the SMILES notation for 1-[5-(diethylamino)pentan-2-yl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-methylguanidine?
The canonical SMILES for 1-[5-(diethylamino)pentan-2-yl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-methylguanidine is CCN(CC)CCCC(C)N/C(=N\C)NCC1(c2ccccc2OC)CC1.
What is the InChIKey of 1-[5-(diethylamino)pentan-2-yl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-methylguanidine?
The InChIKey is UJDCAGYMXQLUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4O/c1-6-26(7-2)16-10-11-18(3)25-21(23-4)24-17-22(14-15-22)19-12-8-9-13-20(19)27-5/h8-9,12-13,18H,6-7,10-11,14-17H2,1-5H3,(H2,23,24,25).
What are the key properties of 1-[5-(diethylamino)pentan-2-yl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-methylguanidine?
1-[5-(diethylamino)pentan-2-yl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-methylguanidine has a molecular weight of 374.57 g/mol, XLogP of 3.40, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(diethylamino)pentan-2-yl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-methylguanidine is sourced from PubChem (CID 110999139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).