1-(2,2-dimethylpropyl)naphthalene;methane

C16H22 — CID 145304916

IUPAC1-(2,2-dimethylpropyl)naphthalene;methane
SMILESC.CC(C)(C)Cc1cccc2ccccc12
InChIInChI=1S/C15H18.CH4/c1-15(2,3)11-13-9-6-8-12-7-4-5-10-14(12)13;/h4-10H,11H2,1-3H3;1H4
InChIKeyABBPVOSNFXVXRO-UHFFFAOYSA-N
MW214.35 g/mol
LogP5.06
Rot. Bonds1

About 1-(2,2-dimethylpropyl)naphthalene;methane

1-(2,2-dimethylpropyl)naphthalene;methane (PubChem CID 145304916) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)naphthalene;methane.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)naphthalene;methane
PubChem CID145304916
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name1-(2,2-dimethylpropyl)naphthalene;methane
SMILESC.CC(C)(C)Cc1cccc2ccccc12
InChIInChI=1S/C15H18.CH4/c1-15(2,3)11-13-9-6-8-12-7-4-5-10-14(12)13;/h4-10H,11H2,1-3H3;1H4
InChIKeyABBPVOSNFXVXRO-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.35
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-fluoro-2-methylpropyl)naphthalene
CID 118859745
1-(2-methyl-2-phenylpropyl)naphthalene
CID 86035126
2-N,2-N-diethyl-2-methyl-3-naphthalen-1-ylpropane-1,2-diamine
CID 84746535
2,2-dimethyl-3-naphthalen-1-ylpropanamide
CID 90911277
azane;1-ethylnaphthalene
CID 19048185
sodium;1-ethylnaphthalene;hydride
CID 174300793
2-methylpropan-2-amine;naphthalen-1-ylmethanamine
CID 142317452
1-[2-(bromomethyl)-2,3-dimethylbutyl]naphthalene
CID 83153298
1-(1-naphthalen-1-yl-2-phenylpropan-2-yl)naphthalene
CID 173163725
ethyl (2S)-2-amino-2-methyl-3-naphthalen-1-ylpropanoate
CID 11173902
2-methyl-2-(naphthalen-1-ylmethyl)but-3-en-1-amine
CID 102640302
4,4-dimethyl-1-naphthalen-1-ylpentan-2-one
CID 61055866

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)naphthalene;methane?
The IUPAC name of 1-(2,2-dimethylpropyl)naphthalene;methane (CID 145304916) is 1-(2,2-dimethylpropyl)naphthalene;methane.
What is the SMILES notation for 1-(2,2-dimethylpropyl)naphthalene;methane?
The canonical SMILES for 1-(2,2-dimethylpropyl)naphthalene;methane is C.CC(C)(C)Cc1cccc2ccccc12.
What is the InChIKey of 1-(2,2-dimethylpropyl)naphthalene;methane?
The InChIKey is ABBPVOSNFXVXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18.CH4/c1-15(2,3)11-13-9-6-8-12-7-4-5-10-14(12)13;/h4-10H,11H2,1-3H3;1H4.
What are the key properties of 1-(2,2-dimethylpropyl)naphthalene;methane?
1-(2,2-dimethylpropyl)naphthalene;methane has a molecular weight of 214.35 g/mol, XLogP of 5.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)naphthalene;methane is sourced from PubChem (CID 145304916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).