1,1,3,3-tetramethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine

C16H25N3 — CID 111064684

IUPAC1,1,3,3-tetramethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
SMILESCN(C)C(=NCC1CCCc2ccccc21)N(C)C
InChIInChI=1S/C16H25N3/c1-18(2)16(19(3)4)17-12-14-10-7-9-13-8-5-6-11-15(13)14/h5-6,8,11,14H,7,9-10,12H2,1-4H3
InChIKeyIOFTYEWNWASSGX-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.59
Rot. Bonds2

About 1,1,3,3-tetramethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine

1,1,3,3-tetramethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine (PubChem CID 111064684) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
PubChem CID111064684
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1,1,3,3-tetramethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
SMILESCN(C)C(=NCC1CCCc2ccccc21)N(C)C
InChIInChI=1S/C16H25N3/c1-18(2)16(19(3)4)17-12-14-10-7-9-13-8-5-6-11-15(13)14/h5-6,8,11,14H,7,9-10,12H2,1-4H3
InChIKeyIOFTYEWNWASSGX-UHFFFAOYSA-N
XLogP2.59
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,1,3,3-tetramethylguanidine
CID 111073437
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030
N,N-dipropyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanethioamide
CID 19813294
N',2-dimethyl-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propane-1,3-diamine
CID 63772595
2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]ethanol
CID 63771637
2,3-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
CID 63770918
(3R)-N-ethyl-3-hydroxy-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine-1-carboximidamide
CID 111549772
2-[[ethylamino-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111365113
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 171991657

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine?
The IUPAC name of 1,1,3,3-tetramethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine (CID 111064684) is 1,1,3,3-tetramethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine?
The canonical SMILES for 1,1,3,3-tetramethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine is CN(C)C(=NCC1CCCc2ccccc21)N(C)C.
What is the InChIKey of 1,1,3,3-tetramethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine?
The InChIKey is IOFTYEWNWASSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-18(2)16(19(3)4)17-12-14-10-7-9-13-8-5-6-11-15(13)14/h5-6,8,11,14H,7,9-10,12H2,1-4H3.
What are the key properties of 1,1,3,3-tetramethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine?
1,1,3,3-tetramethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine has a molecular weight of 259.40 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine is sourced from PubChem (CID 111064684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).