1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-(1,4-dioxan-2-ylmethyl)-2-methylguanidine

C17H25N3O2 — CID 119140285

IUPAC1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-(1,4-dioxan-2-ylmethyl)-2-methylguanidine
SMILESC/N=C(\NCC1COCCO1)NCC1CCc2ccccc21
InChIInChI=1S/C17H25N3O2/c1-18-17(20-11-15-12-21-8-9-22-15)19-10-14-7-6-13-4-2-3-5-16(13)14/h2-5,14-15H,6-12H2,1H3,(H2,18,19,20)
InChIKeyCHQLKSUBDZVXAR-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.30
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-(1,4-dioxan-2-ylmethyl)-2-methylguanidine

1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-(1,4-dioxan-2-ylmethyl)-2-methylguanidine (PubChem CID 119140285) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-(1,4-dioxan-2-ylmethyl)-2-methylguanidine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-(1,4-dioxan-2-ylmethyl)-2-methylguanidine
PubChem CID119140285
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-(1,4-dioxan-2-ylmethyl)-2-methylguanidine
SMILESC/N=C(\NCC1COCCO1)NCC1CCc2ccccc21
InChIInChI=1S/C17H25N3O2/c1-18-17(20-11-15-12-21-8-9-22-15)19-10-14-7-6-13-4-2-3-5-16(13)14/h2-5,14-15H,6-12H2,1H3,(H2,18,19,20)
InChIKeyCHQLKSUBDZVXAR-UHFFFAOYSA-N
XLogP1.30
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.30
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-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methylguanidine;hydroiodide
CID 119158124
1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylguanidine;hydroiodide
CID 119140336
1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(1-hydroxycyclobutyl)methyl]-2-methylguanidine
CID 119155903
1-(cyclopropylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
CID 111870531
1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-ethyl-2-(oxolan-2-ylmethyl)guanidine
CID 119140329
1-(2,3-dihydro-1H-inden-1-ylmethyl)-2-methyl-3-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine;hydroiodide
CID 119155904
2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
CID 111313800
1-(2,3-dihydro-1H-inden-1-ylmethyl)-2-methyl-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]guanidine
CID 119140323
2-methyl-1-propan-2-yl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111125764
1-(1,4-dioxan-2-ylmethyl)-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide
CID 119151246
2-methyl-1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
CID 111375347
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylguanidine;hydroiodide
CID 111837416

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-(1,4-dioxan-2-ylmethyl)-2-methylguanidine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-(1,4-dioxan-2-ylmethyl)-2-methylguanidine (CID 119140285) is 1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-(1,4-dioxan-2-ylmethyl)-2-methylguanidine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-(1,4-dioxan-2-ylmethyl)-2-methylguanidine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-(1,4-dioxan-2-ylmethyl)-2-methylguanidine is C/N=C(\NCC1COCCO1)NCC1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-(1,4-dioxan-2-ylmethyl)-2-methylguanidine?
The InChIKey is CHQLKSUBDZVXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-18-17(20-11-15-12-21-8-9-22-15)19-10-14-7-6-13-4-2-3-5-16(13)14/h2-5,14-15H,6-12H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-(1,4-dioxan-2-ylmethyl)-2-methylguanidine?
1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-(1,4-dioxan-2-ylmethyl)-2-methylguanidine has a molecular weight of 303.41 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-(1,4-dioxan-2-ylmethyl)-2-methylguanidine is sourced from PubChem (CID 119140285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).