1-(3-cyclopentyl-3-ethoxypropyl)-3-(3-methoxypropyl)-2-methylguanidine

C16H33N3O2 — CID 111966637

IUPAC1-(3-cyclopentyl-3-ethoxypropyl)-3-(3-methoxypropyl)-2-methylguanidine
SMILESCCOC(CCN/C(=N/C)NCCCOC)C1CCCC1
InChIInChI=1S/C16H33N3O2/c1-4-21-15(14-8-5-6-9-14)10-12-19-16(17-2)18-11-7-13-20-3/h14-15H,4-13H2,1-3H3,(H2,17,18,19)
InChIKeySGGRQUBQSPBDPZ-UHFFFAOYSA-N
MW299.46 g/mol
LogP2.17
Rot. Bonds10

About 1-(3-cyclopentyl-3-ethoxypropyl)-3-(3-methoxypropyl)-2-methylguanidine

1-(3-cyclopentyl-3-ethoxypropyl)-3-(3-methoxypropyl)-2-methylguanidine (PubChem CID 111966637) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-(3-cyclopentyl-3-ethoxypropyl)-3-(3-methoxypropyl)-2-methylguanidine.

Molecular Properties

Compound Name1-(3-cyclopentyl-3-ethoxypropyl)-3-(3-methoxypropyl)-2-methylguanidine
PubChem CID111966637
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name1-(3-cyclopentyl-3-ethoxypropyl)-3-(3-methoxypropyl)-2-methylguanidine
SMILESCCOC(CCN/C(=N/C)NCCCOC)C1CCCC1
InChIInChI=1S/C16H33N3O2/c1-4-21-15(14-8-5-6-9-14)10-12-19-16(17-2)18-11-7-13-20-3/h14-15H,4-13H2,1-3H3,(H2,17,18,19)
InChIKeySGGRQUBQSPBDPZ-UHFFFAOYSA-N
XLogP2.17
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.17
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-cyclopentyl-3-ethoxypropyl)-2-methyl-3-(2-methylsulfanylethyl)guanidine
CID 111967571
1-(3-cyclopentyl-3-ethoxypropyl)-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111967884
1-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 110973755
1-(3-cyclopentyl-3-ethoxypropyl)-3-[(3-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111967286
1-(cyclooctylmethyl)-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 110973864
1-(3-cyclopentyl-3-ethoxypropyl)-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109404775
1-(3-cyclopentyl-3-ethoxypropyl)-2-methyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide
CID 111967730
(2S)-2-amino-N-(3-cyclopentyl-3-ethoxypropyl)propanamide
CID 119343507
1-(2-methoxyethyl)-2-methyl-3-(3-propan-2-yloxypropyl)guanidine
CID 110941208
1-(3-cyclopentyl-3-ethoxypropyl)-2-propylguanidine
CID 111601024
1-(3-cyclopentyl-3-ethoxypropyl)-2-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
CID 111967963
2-amino-N-(3-cyclopentyl-3-ethoxypropyl)acetamide;hydrochloride
CID 119343510

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyl-3-ethoxypropyl)-3-(3-methoxypropyl)-2-methylguanidine?
The IUPAC name of 1-(3-cyclopentyl-3-ethoxypropyl)-3-(3-methoxypropyl)-2-methylguanidine (CID 111966637) is 1-(3-cyclopentyl-3-ethoxypropyl)-3-(3-methoxypropyl)-2-methylguanidine.
What is the SMILES notation for 1-(3-cyclopentyl-3-ethoxypropyl)-3-(3-methoxypropyl)-2-methylguanidine?
The canonical SMILES for 1-(3-cyclopentyl-3-ethoxypropyl)-3-(3-methoxypropyl)-2-methylguanidine is CCOC(CCN/C(=N/C)NCCCOC)C1CCCC1.
What is the InChIKey of 1-(3-cyclopentyl-3-ethoxypropyl)-3-(3-methoxypropyl)-2-methylguanidine?
The InChIKey is SGGRQUBQSPBDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-4-21-15(14-8-5-6-9-14)10-12-19-16(17-2)18-11-7-13-20-3/h14-15H,4-13H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-(3-cyclopentyl-3-ethoxypropyl)-3-(3-methoxypropyl)-2-methylguanidine?
1-(3-cyclopentyl-3-ethoxypropyl)-3-(3-methoxypropyl)-2-methylguanidine has a molecular weight of 299.46 g/mol, XLogP of 2.17, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyl-3-ethoxypropyl)-3-(3-methoxypropyl)-2-methylguanidine is sourced from PubChem (CID 111966637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).