1-[2-(2,3-dihydroindol-1-yl)propyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine

C21H35N5 — CID 111317938

IUPAC1-[2-(2,3-dihydroindol-1-yl)propyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
SMILESC/N=C(\NCC(C)N1CCc2ccccc21)NC1CCN(C(C)C)CC1
InChIInChI=1S/C21H35N5/c1-16(2)25-12-10-19(11-13-25)24-21(22-4)23-15-17(3)26-14-9-18-7-5-6-8-20(18)26/h5-8,16-17,19H,9-15H2,1-4H3,(H2,22,23,24)
InChIKeyIQARVLOMAZLYDY-UHFFFAOYSA-N
MW357.55 g/mol
LogP2.48
Rot. Bonds5

About 1-[2-(2,3-dihydroindol-1-yl)propyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine

1-[2-(2,3-dihydroindol-1-yl)propyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine (PubChem CID 111317938) has the molecular formula C21H35N5 and a molecular weight of 357.55 g/mol. Its IUPAC name is 1-[2-(2,3-dihydroindol-1-yl)propyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine.

Molecular Properties

Compound Name1-[2-(2,3-dihydroindol-1-yl)propyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
PubChem CID111317938
Molecular FormulaC21H35N5
Molecular Weight357.55 g/mol
Exact Mass357.29
IUPAC Name1-[2-(2,3-dihydroindol-1-yl)propyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
SMILESC/N=C(\NCC(C)N1CCc2ccccc21)NC1CCN(C(C)C)CC1
InChIInChI=1S/C21H35N5/c1-16(2)25-12-10-19(11-13-25)24-21(22-4)23-15-17(3)26-14-9-18-7-5-6-8-20(18)26/h5-8,16-17,19H,9-15H2,1-4H3,(H2,22,23,24)
InChIKeyIQARVLOMAZLYDY-UHFFFAOYSA-N
XLogP2.48
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.55
LogP ≤ 52.48
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-[2-(2,3-dihydroindol-1-yl)propyl]-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111914603
1-[2-(2,3-dihydroindol-1-yl)propyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111258856
1-[3-(cyclopropylmethoxy)propyl]-3-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylguanidine
CID 111391093
1-[2-(2,3-dihydroindol-1-yl)propyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471898
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 110974361
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111017832
1-[2-(2,3-dihydroindol-1-yl)propyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111954203
2-methyl-1-(3-methyl-2-pyrrolidin-1-ylbutyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111319009
2-[[N'-methyl-N-(1-propan-2-ylpiperidin-4-yl)carbamimidoyl]amino]-N-phenylacetamide
CID 111316874
1-[2-(2,3-dihydroindol-1-yl)propyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111192975
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-[(3,4-dimethoxyphenyl)methyl]-2-methylguanidine
CID 111201778
2-methyl-1-[2-(4-methylphenyl)propyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111795722

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)propyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine?
The IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)propyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine (CID 111317938) is 1-[2-(2,3-dihydroindol-1-yl)propyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine.
What is the SMILES notation for 1-[2-(2,3-dihydroindol-1-yl)propyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine?
The canonical SMILES for 1-[2-(2,3-dihydroindol-1-yl)propyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine is C/N=C(\NCC(C)N1CCc2ccccc21)NC1CCN(C(C)C)CC1.
What is the InChIKey of 1-[2-(2,3-dihydroindol-1-yl)propyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine?
The InChIKey is IQARVLOMAZLYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5/c1-16(2)25-12-10-19(11-13-25)24-21(22-4)23-15-17(3)26-14-9-18-7-5-6-8-20(18)26/h5-8,16-17,19H,9-15H2,1-4H3,(H2,22,23,24).
What are the key properties of 1-[2-(2,3-dihydroindol-1-yl)propyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine?
1-[2-(2,3-dihydroindol-1-yl)propyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine has a molecular weight of 357.55 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydroindol-1-yl)propyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine is sourced from PubChem (CID 111317938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).