1-(2-cycloheptyloxyethyl)-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine

C19H40N4O — CID 111576077

IUPAC1-(2-cycloheptyloxyethyl)-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine
SMILESC/N=C(\NCCCCN(C)C(C)C)NCCOC1CCCCCC1
InChIInChI=1S/C19H40N4O/c1-17(2)23(4)15-10-9-13-21-19(20-3)22-14-16-24-18-11-7-5-6-8-12-18/h17-18H,5-16H2,1-4H3,(H2,20,21,22)
InChIKeyGMINJBZZDNUEKI-UHFFFAOYSA-N
MW340.56 g/mol
LogP3.01
Rot. Bonds10

About 1-(2-cycloheptyloxyethyl)-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine

1-(2-cycloheptyloxyethyl)-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine (PubChem CID 111576077) has the molecular formula C19H40N4O and a molecular weight of 340.56 g/mol. Its IUPAC name is 1-(2-cycloheptyloxyethyl)-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine.

Molecular Properties

Compound Name1-(2-cycloheptyloxyethyl)-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine
PubChem CID111576077
Molecular FormulaC19H40N4O
Molecular Weight340.56 g/mol
Exact Mass340.32
IUPAC Name1-(2-cycloheptyloxyethyl)-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine
SMILESC/N=C(\NCCCCN(C)C(C)C)NCCOC1CCCCCC1
InChIInChI=1S/C19H40N4O/c1-17(2)23(4)15-10-9-13-21-19(20-3)22-14-16-24-18-11-7-5-6-8-12-18/h17-18H,5-16H2,1-4H3,(H2,20,21,22)
InChIKeyGMINJBZZDNUEKI-UHFFFAOYSA-N
XLogP3.01
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.56
LogP ≤ 53.01
H-Bond Donors ≤ 52
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

1-(3-cyclohexyloxypropyl)-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 111397047
1-(3-cyclopentyloxypropyl)-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine
CID 111692188
1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-methylpropyl)guanidine
CID 111178790
1-(3-cyclohexyloxypropyl)-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine
CID 111398059
1-(3-cyclopentyloxypropyl)-2-methyl-3-(4-methylpentyl)guanidine
CID 111943805
1-(3-cyclohexyloxypropyl)-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine
CID 111396927
2-methyl-1-[4-[methyl(propan-2-yl)amino]butyl]-3-propylguanidine;hydroiodide
CID 111227154
3-[[N-(3-cyclohexyloxypropyl)-N'-methylcarbamimidoyl]amino]-N,N-dimethylpropanamide
CID 111397382
propan-2-yl 3-[[N-(2-cycloheptyloxyethyl)-N'-methylcarbamimidoyl]amino]propanoate
CID 111575563
2-methyl-1-[4-[methyl(propan-2-yl)amino]butyl]-3-[3-(oxan-4-ylmethoxy)propyl]guanidine
CID 111642764
1-(2-cycloheptyloxyethyl)-3-[4-(4-ethylpiperazin-1-yl)butyl]-2-methylguanidine;hydroiodide
CID 111576132
1-(3-cyclopentyloxypropyl)-3-(4-ethoxybutyl)-2-methylguanidine
CID 111946277

Frequently Asked Questions

What is the IUPAC name of 1-(2-cycloheptyloxyethyl)-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine?
The IUPAC name of 1-(2-cycloheptyloxyethyl)-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine (CID 111576077) is 1-(2-cycloheptyloxyethyl)-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine.
What is the SMILES notation for 1-(2-cycloheptyloxyethyl)-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine?
The canonical SMILES for 1-(2-cycloheptyloxyethyl)-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine is C/N=C(\NCCCCN(C)C(C)C)NCCOC1CCCCCC1.
What is the InChIKey of 1-(2-cycloheptyloxyethyl)-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine?
The InChIKey is GMINJBZZDNUEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N4O/c1-17(2)23(4)15-10-9-13-21-19(20-3)22-14-16-24-18-11-7-5-6-8-12-18/h17-18H,5-16H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-(2-cycloheptyloxyethyl)-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine?
1-(2-cycloheptyloxyethyl)-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine has a molecular weight of 340.56 g/mol, XLogP of 3.01, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cycloheptyloxyethyl)-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine is sourced from PubChem (CID 111576077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).