1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine

C16H34N4O — CID 111826817

IUPAC1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine
SMILESCCN(CC)CCCC(C)N/C(=N\C)NCC1(C)COC1
InChIInChI=1S/C16H34N4O/c1-6-20(7-2)10-8-9-14(3)19-15(17-5)18-11-16(4)12-21-13-16/h14H,6-13H2,1-5H3,(H2,17,18,19)
InChIKeyNAHYORLZIOKHKZ-UHFFFAOYSA-N
MW298.47 g/mol
LogP1.70
Rot. Bonds9

About 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine

1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine (PubChem CID 111826817) has the molecular formula C16H34N4O and a molecular weight of 298.47 g/mol. Its IUPAC name is 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine
PubChem CID111826817
Molecular FormulaC16H34N4O
Molecular Weight298.47 g/mol
Exact Mass298.27
IUPAC Name1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine
SMILESCCN(CC)CCCC(C)N/C(=N\C)NCC1(C)COC1
InChIInChI=1S/C16H34N4O/c1-6-20(7-2)10-8-9-14(3)19-15(17-5)18-11-16(4)12-21-13-16/h14H,6-13H2,1-5H3,(H2,17,18,19)
InChIKeyNAHYORLZIOKHKZ-UHFFFAOYSA-N
XLogP1.70
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 51.70
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-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide
CID 111826816
1-[5-(diethylamino)pentan-2-yl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine
CID 110998971
1-[5-(diethylamino)pentan-2-yl]-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 110998322
1-[5-(diethylamino)pentan-2-yl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-methylguanidine
CID 110999139
2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylpropyl)guanidine
CID 111828269
1-[2-(tert-butylamino)ethyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine
CID 111759751
1-[5-(diethylamino)pentan-2-yl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-methylguanidine
CID 110997915
1-[5-(diethylamino)pentan-2-yl]-3-[7-(dimethylamino)heptyl]-2-methylguanidine;hydroiodide
CID 110998176
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 110998580
1-[5-(diethylamino)pentan-2-yl]-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylguanidine;hydroiodide
CID 110999288
1-[2-(azepan-1-yl)ethyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine;hydroiodide
CID 110998052
1-[(5-bromothiophen-2-yl)methyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine
CID 110999365

Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine?
The IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine (CID 111826817) is 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine.
What is the SMILES notation for 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine?
The canonical SMILES for 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine is CCN(CC)CCCC(C)N/C(=N\C)NCC1(C)COC1.
What is the InChIKey of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine?
The InChIKey is NAHYORLZIOKHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O/c1-6-20(7-2)10-8-9-14(3)19-15(17-5)18-11-16(4)12-21-13-16/h14H,6-13H2,1-5H3,(H2,17,18,19).
What are the key properties of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine?
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine has a molecular weight of 298.47 g/mol, XLogP of 1.70, 9 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]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine is sourced from PubChem (CID 111826817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).