1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine

C20H32N4O — CID 111599534

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
SMILESCC1CCCN(C(C)(C)C/N=C(\N)NC2CCOc3ccccc32)C1
InChIInChI=1S/C20H32N4O/c1-15-7-6-11-24(13-15)20(2,3)14-22-19(21)23-17-10-12-25-18-9-5-4-8-16(17)18/h4-5,8-9,15,17H,6-7,10-14H2,1-3H3,(H3,21,22,23)
InChIKeyAXGZQSGROKPZMD-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.92
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine

1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine (PubChem CID 111599534) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
PubChem CID111599534
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
SMILESCC1CCCN(C(C)(C)C/N=C(\N)NC2CCOc3ccccc32)C1
InChIInChI=1S/C20H32N4O/c1-15-7-6-11-24(13-15)20(2,3)14-22-19(21)23-17-10-12-25-18-9-5-4-8-16(17)18/h4-5,8-9,15,17H,6-7,10-14H2,1-3H3,(H3,21,22,23)
InChIKeyAXGZQSGROKPZMD-UHFFFAOYSA-N
XLogP2.92
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.92
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

2-(2-cyclobutyl-2-methylpropyl)-1-(3,4-dihydro-2H-chromen-4-yl)guanidine
CID 122097645
1-(3,4-dihydro-2H-chromen-4-yl)-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 111598897
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-methyl-2-(4-methylphenyl)propyl]guanidine
CID 111600276
2-[2-(4-chlorophenyl)-2-methylpropyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine;hydroiodide
CID 111599305
1-(3,4-dihydro-2H-chromen-4-yl)-2-propylguanidine;hydroiodide
CID 75418867
2-[2-(3-chlorophenyl)-2-methylpropyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine
CID 111599802
1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111598615
1-(3,4-dihydro-2H-chromen-4-yl)-2-(3-methyl-3-phenylbutyl)guanidine;hydrobromide
CID 155949639
1-(3,4-dihydro-2H-chromen-4-yl)-2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]guanidine
CID 111821148
1-(3,4-dihydro-2H-chromen-4-yl)-2-[[(2S)-1-propylpyrrolidin-2-yl]methyl]guanidine;hydroiodide
CID 120973898
2-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-1-(3,4-dihydro-2H-chromen-4-yl)guanidine;hydroiodide
CID 119954374
1-(3,4-dihydro-2H-chromen-4-yl)-2-pentylguanidine
CID 111597420

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine (CID 111599534) is 1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine is CC1CCCN(C(C)(C)C/N=C(\N)NC2CCOc3ccccc32)C1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine?
The InChIKey is AXGZQSGROKPZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-15-7-6-11-24(13-15)20(2,3)14-22-19(21)23-17-10-12-25-18-9-5-4-8-16(17)18/h4-5,8-9,15,17H,6-7,10-14H2,1-3H3,(H3,21,22,23).
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine?
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine has a molecular weight of 344.50 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine is sourced from PubChem (CID 111599534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).