azane;2,2-dimethylbutylbenzene

C12H21N — CID 175285583

IUPACazane;2,2-dimethylbutylbenzene
SMILESCCC(C)(C)Cc1ccccc1.N
InChIInChI=1S/C12H18.H3N/c1-4-12(2,3)10-11-8-6-5-7-9-11;/h5-9H,4,10H2,1-3H3;1H3
InChIKeyLHQIWBANVFIMNB-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.83
Rot. Bonds3

About azane;2,2-dimethylbutylbenzene

azane;2,2-dimethylbutylbenzene (PubChem CID 175285583) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is azane;2,2-dimethylbutylbenzene.

Molecular Properties

Compound Nameazane;2,2-dimethylbutylbenzene
PubChem CID175285583
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Nameazane;2,2-dimethylbutylbenzene
SMILESCCC(C)(C)Cc1ccccc1.N
InChIInChI=1S/C12H18.H3N/c1-4-12(2,3)10-11-8-6-5-7-9-11;/h5-9H,4,10H2,1-3H3;1H3
InChIKeyLHQIWBANVFIMNB-UHFFFAOYSA-N
XLogP3.83
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethylpentylbenzene
CID 15727699
(2-ethyl-2-methylbutyl)benzene
CID 123641908
azane;3-benzylpentan-3-ol
CID 173295411
2,2-difluorobutylbenzene
CID 12695736
(4,4-difluoro-2,2-dimethylpentyl)benzene
CID 155030658
1-(2,2-dimethylbutyl)-4-fluorobenzene;ethane
CID 143051679
2-[4-(2,2-dimethylbutyl)phenyl]-2-hydroxy-2-phenylacetamide
CID 130456540
(5,5,5-trifluoro-2,2-dimethylpentyl)benzene
CID 70815571
(2-fluoro-2-methylpropyl)benzene
CID 14343442
2,2-dimethylpropylbenzene;methanol
CID 157125736
2-benzyl-2-methylbutanenitrile
CID 65377862
(2,2-dimethyl-3-phenylpropyl) sulfamate
CID 122528733

Frequently Asked Questions

What is the IUPAC name of azane;2,2-dimethylbutylbenzene?
The IUPAC name of azane;2,2-dimethylbutylbenzene (CID 175285583) is azane;2,2-dimethylbutylbenzene.
What is the SMILES notation for azane;2,2-dimethylbutylbenzene?
The canonical SMILES for azane;2,2-dimethylbutylbenzene is CCC(C)(C)Cc1ccccc1.N.
What is the InChIKey of azane;2,2-dimethylbutylbenzene?
The InChIKey is LHQIWBANVFIMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.H3N/c1-4-12(2,3)10-11-8-6-5-7-9-11;/h5-9H,4,10H2,1-3H3;1H3.
What are the key properties of azane;2,2-dimethylbutylbenzene?
azane;2,2-dimethylbutylbenzene has a molecular weight of 179.31 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,2-dimethylbutylbenzene is sourced from PubChem (CID 175285583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).