azane;pentan-3-ylbenzene

C11H22N2 — CID 19774895

IUPACazane;pentan-3-ylbenzene
SMILESCCC(CC)c1ccccc1.N.N
InChIInChI=1S/C11H16.2H3N/c1-3-10(4-2)11-8-6-5-7-9-11;;/h5-10H,3-4H2,1-2H3;2*1H3
InChIKeyVDWUWBWVURNYTK-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.91
Rot. Bonds3

About azane;pentan-3-ylbenzene

azane;pentan-3-ylbenzene (PubChem CID 19774895) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is azane;pentan-3-ylbenzene.

Molecular Properties

Compound Nameazane;pentan-3-ylbenzene
PubChem CID19774895
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Nameazane;pentan-3-ylbenzene
SMILESCCC(CC)c1ccccc1.N.N
InChIInChI=1S/C11H16.2H3N/c1-3-10(4-2)11-8-6-5-7-9-11;;/h5-10H,3-4H2,1-2H3;2*1H3
InChIKeyVDWUWBWVURNYTK-UHFFFAOYSA-N
XLogP3.91
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

pentan-3-ylbenzene;selenic acid
CID 175520254
hydrogen peroxide;1-phenylbutan-2-ylbenzene
CID 19777291
octan-3-ylbenzene
CID 519547
heptan-3-ylbenzene;methane
CID 159006232
ethane;methane;5-methylheptan-3-ylbenzene
CID 168921698
(1-fluoro-1-phenylpentan-3-yl)benzene
CID 150013028
(3R)-3-phenylpentanal
CID 12598589
5-phenylheptan-2-amine
CID 83936540
ethane;3-phenylpentanoic acid
CID 142147200
1-phenyl-4-(2-phenylbutyl)benzene
CID 57285163
ethane;N-methyl-3-phenylpentan-1-amine
CID 165125181
diethoxy(2-phenylbutyl)silane
CID 173370205

Frequently Asked Questions

What is the IUPAC name of azane;pentan-3-ylbenzene?
The IUPAC name of azane;pentan-3-ylbenzene (CID 19774895) is azane;pentan-3-ylbenzene.
What is the SMILES notation for azane;pentan-3-ylbenzene?
The canonical SMILES for azane;pentan-3-ylbenzene is CCC(CC)c1ccccc1.N.N.
What is the InChIKey of azane;pentan-3-ylbenzene?
The InChIKey is VDWUWBWVURNYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.2H3N/c1-3-10(4-2)11-8-6-5-7-9-11;;/h5-10H,3-4H2,1-2H3;2*1H3.
What are the key properties of azane;pentan-3-ylbenzene?
azane;pentan-3-ylbenzene has a molecular weight of 182.31 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;pentan-3-ylbenzene is sourced from PubChem (CID 19774895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).