1-[3-(cyclopropylmethoxy)propyl]-3-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylguanidine

C20H32N4O — CID 111391093

IUPAC1-[3-(cyclopropylmethoxy)propyl]-3-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylguanidine
SMILESC/N=C(\NCCCOCC1CC1)NCC(C)N1CCc2ccccc21
InChIInChI=1S/C20H32N4O/c1-16(24-12-10-18-6-3-4-7-19(18)24)14-23-20(21-2)22-11-5-13-25-15-17-8-9-17/h3-4,6-7,16-17H,5,8-15H2,1-2H3,(H2,21,22,23)
InChIKeyDQKOETCLDFBOHU-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.42
Rot. Bonds9

About 1-[3-(cyclopropylmethoxy)propyl]-3-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylguanidine

1-[3-(cyclopropylmethoxy)propyl]-3-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylguanidine (PubChem CID 111391093) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxy)propyl]-3-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxy)propyl]-3-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylguanidine
PubChem CID111391093
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name1-[3-(cyclopropylmethoxy)propyl]-3-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylguanidine
SMILESC/N=C(\NCCCOCC1CC1)NCC(C)N1CCc2ccccc21
InChIInChI=1S/C20H32N4O/c1-16(24-12-10-18-6-3-4-7-19(18)24)14-23-20(21-2)22-11-5-13-25-15-17-8-9-17/h3-4,6-7,16-17H,5,8-15H2,1-2H3,(H2,21,22,23)
InChIKeyDQKOETCLDFBOHU-UHFFFAOYSA-N
XLogP2.42
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.42
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-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 110974361
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 111651291
1-[2-(2,3-dihydroindol-1-yl)propyl]-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111904635
1-[2-(2,3-dihydroindol-1-yl)propyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471898
1-[3-(cyclopropylmethoxy)propyl]-2-methyl-3-[2-(4-methylpiperazin-1-yl)propyl]guanidine
CID 111392989
1-[2-(2,3-dihydroindol-1-yl)propyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111317938
1-[2-(2,3-dihydroindol-1-yl)propyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111192975
1-[3-(cyclopropylmethoxy)propyl]-3-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methylguanidine;hydroiodide
CID 111392888
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylguanidine
CID 111531205
1-[2-(2-chlorophenoxy)propyl]-3-[3-(cyclopropylmethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111499754
1-[3-(cyclopropylmethoxy)propyl]-2-methyl-3-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111393154
1-[3-(cyclopropylmethoxy)propyl]-2-methyl-3-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine
CID 111393155

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethoxy)propyl]-3-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylguanidine?
The IUPAC name of 1-[3-(cyclopropylmethoxy)propyl]-3-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylguanidine (CID 111391093) is 1-[3-(cyclopropylmethoxy)propyl]-3-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylguanidine.
What is the SMILES notation for 1-[3-(cyclopropylmethoxy)propyl]-3-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylguanidine?
The canonical SMILES for 1-[3-(cyclopropylmethoxy)propyl]-3-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylguanidine is C/N=C(\NCCCOCC1CC1)NCC(C)N1CCc2ccccc21.
What is the InChIKey of 1-[3-(cyclopropylmethoxy)propyl]-3-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylguanidine?
The InChIKey is DQKOETCLDFBOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-16(24-12-10-18-6-3-4-7-19(18)24)14-23-20(21-2)22-11-5-13-25-15-17-8-9-17/h3-4,6-7,16-17H,5,8-15H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-[3-(cyclopropylmethoxy)propyl]-3-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylguanidine?
1-[3-(cyclopropylmethoxy)propyl]-3-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylguanidine has a molecular weight of 344.50 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxy)propyl]-3-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylguanidine is sourced from PubChem (CID 111391093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).