1,2-di(propan-2-yl)azocane

C13H27N — CID 134605032

IUPAC1,2-di(propan-2-yl)azocane
SMILESCC(C)C1CCCCCCN1C(C)C
InChIInChI=1S/C13H27N/c1-11(2)13-9-7-5-6-8-10-14(13)12(3)4/h11-13H,5-10H2,1-4H3
InChIKeyLIDZWYXYUOSAEQ-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.69
Rot. Bonds2

About 1,2-di(propan-2-yl)azocane

1,2-di(propan-2-yl)azocane (PubChem CID 134605032) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1,2-di(propan-2-yl)azocane.

Molecular Properties

Compound Name1,2-di(propan-2-yl)azocane
PubChem CID134605032
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1,2-di(propan-2-yl)azocane
SMILESCC(C)C1CCCCCCN1C(C)C
InChIInChI=1S/C13H27N/c1-11(2)13-9-7-5-6-8-10-14(13)12(3)4/h11-13H,5-10H2,1-4H3
InChIKeyLIDZWYXYUOSAEQ-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1,2-di(propan-2-yl)pyrrolidine
CID 59966007
(2R)-1,2-di(propan-2-yl)pyrrolidine
CID 59965991
2-(1-bromopropan-2-yl)-1-propan-2-ylpiperidine
CID 164645144
2-methyl-1-propan-2-ylazepane
CID 66910895
2-pentan-2-yl-1-propan-2-ylpiperidine
CID 135193938
1,2,5-tri(propan-2-yl)azepane
CID 176801550
1-cyclobutyl-2-propan-2-ylpiperidine
CID 130669810
ethane;2-methyl-1-propan-2-ylpiperidine
CID 143195459
(7R)-N,1,7-tri(propan-2-yl)azepan-4-amine
CID 152916334
3,4-di(propan-2-yl)-1,4-oxazepane
CID 123714088
1-cyclopentyl-2-propan-2-ylpyrrolidine
CID 91035341
1,2,4-tri(propan-2-yl)piperazine
CID 58977477

Frequently Asked Questions

What is the IUPAC name of 1,2-di(propan-2-yl)azocane?
The IUPAC name of 1,2-di(propan-2-yl)azocane (CID 134605032) is 1,2-di(propan-2-yl)azocane.
What is the SMILES notation for 1,2-di(propan-2-yl)azocane?
The canonical SMILES for 1,2-di(propan-2-yl)azocane is CC(C)C1CCCCCCN1C(C)C.
What is the InChIKey of 1,2-di(propan-2-yl)azocane?
The InChIKey is LIDZWYXYUOSAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-11(2)13-9-7-5-6-8-10-14(13)12(3)4/h11-13H,5-10H2,1-4H3.
What are the key properties of 1,2-di(propan-2-yl)azocane?
1,2-di(propan-2-yl)azocane has a molecular weight of 197.37 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(propan-2-yl)azocane is sourced from PubChem (CID 134605032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).