1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[(1-methylcyclopentyl)methyl]guanidine

C17H33N3O — CID 111768137

IUPAC1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[(1-methylcyclopentyl)methyl]guanidine
SMILESCCN/C(=N\CC1(C)CCCC1)NCCCOCC1CC1
InChIInChI=1S/C17H33N3O/c1-3-18-16(20-14-17(2)9-4-5-10-17)19-11-6-12-21-13-15-7-8-15/h15H,3-14H2,1-2H3,(H2,18,19,20)
InChIKeyPYWFLKWEBBSAIF-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.94
Rot. Bonds9

About 1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[(1-methylcyclopentyl)methyl]guanidine

1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[(1-methylcyclopentyl)methyl]guanidine (PubChem CID 111768137) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[(1-methylcyclopentyl)methyl]guanidine.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[(1-methylcyclopentyl)methyl]guanidine
PubChem CID111768137
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[(1-methylcyclopentyl)methyl]guanidine
SMILESCCN/C(=N\CC1(C)CCCC1)NCCCOCC1CC1
InChIInChI=1S/C17H33N3O/c1-3-18-16(20-14-17(2)9-4-5-10-17)19-11-6-12-21-13-15-7-8-15/h15H,3-14H2,1-2H3,(H2,18,19,20)
InChIKeyPYWFLKWEBBSAIF-UHFFFAOYSA-N
XLogP2.94
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(cyclopropylmethoxy)propyl]-3-ethyl-2-methylguanidine
CID 84584168
1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111497918
1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-(2-pyrrolidin-1-ylbutyl)guanidine
CID 111392831
1-ethyl-2-[(1-hydroxycyclopentyl)methyl]-3-[3-(2-methoxyethoxy)propyl]guanidine
CID 111404749
1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[[4-(4-fluorophenyl)oxan-4-yl]methyl]guanidine;hydroiodide
CID 111392614
1-[3-(cyclopropylmethoxy)propyl]-2-[2-[cyclopropyl(methyl)amino]propyl]-3-ethylguanidine
CID 111393037
1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]guanidine
CID 111392249
1-ethyl-2-[3-(oxan-4-ylmethoxy)propyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111642556
1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109473199
2-(cyclopropylmethyl)-1-(3-ethoxypropyl)-3-ethylguanidine
CID 111222685
2-[3-(cyclopropylmethoxy)propyl]-1-ethyl-3-[2-(oxolan-2-ylmethoxy)ethyl]guanidine
CID 111786839
ethyl 4-[[[3-(cyclopropylmethoxy)propylamino]-(ethylamino)methylidene]amino]butanoate;hydroiodide
CID 111392766

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[(1-methylcyclopentyl)methyl]guanidine?
The IUPAC name of 1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[(1-methylcyclopentyl)methyl]guanidine (CID 111768137) is 1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[(1-methylcyclopentyl)methyl]guanidine.
What is the SMILES notation for 1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[(1-methylcyclopentyl)methyl]guanidine?
The canonical SMILES for 1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[(1-methylcyclopentyl)methyl]guanidine is CCN/C(=N\CC1(C)CCCC1)NCCCOCC1CC1.
What is the InChIKey of 1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[(1-methylcyclopentyl)methyl]guanidine?
The InChIKey is PYWFLKWEBBSAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-3-18-16(20-14-17(2)9-4-5-10-17)19-11-6-12-21-13-15-7-8-15/h15H,3-14H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[(1-methylcyclopentyl)methyl]guanidine?
1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[(1-methylcyclopentyl)methyl]guanidine has a molecular weight of 295.47 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[(1-methylcyclopentyl)methyl]guanidine is sourced from PubChem (CID 111768137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).