2,2,4,4,7,7,9,9-octamethyl-1,6-di(propan-2-yl)azecane

C23H47N — CID 142476230

IUPAC2,2,4,4,7,7,9,9-octamethyl-1,6-di(propan-2-yl)azecane
SMILESCC(C)C1CC(C)(C)CC(C)(C)N(C(C)C)CC(C)(C)CC1(C)C
InChIInChI=1S/C23H47N/c1-17(2)19-13-20(5,6)15-23(11,12)24(18(3)4)16-21(7,8)14-22(19,9)10/h17-19H,13-16H2,1-12H3
InChIKeyPVCDVSRBCYBMJI-UHFFFAOYSA-N
MW337.64 g/mol
LogP7.01
Rot. Bonds2

About 2,2,4,4,7,7,9,9-octamethyl-1,6-di(propan-2-yl)azecane

2,2,4,4,7,7,9,9-octamethyl-1,6-di(propan-2-yl)azecane (PubChem CID 142476230) has the molecular formula C23H47N and a molecular weight of 337.64 g/mol. Its IUPAC name is 2,2,4,4,7,7,9,9-octamethyl-1,6-di(propan-2-yl)azecane.

Molecular Properties

Compound Name2,2,4,4,7,7,9,9-octamethyl-1,6-di(propan-2-yl)azecane
PubChem CID142476230
Molecular FormulaC23H47N
Molecular Weight337.64 g/mol
Exact Mass337.37
IUPAC Name2,2,4,4,7,7,9,9-octamethyl-1,6-di(propan-2-yl)azecane
SMILESCC(C)C1CC(C)(C)CC(C)(C)N(C(C)C)CC(C)(C)CC1(C)C
InChIInChI=1S/C23H47N/c1-17(2)19-13-20(5,6)15-23(11,12)24(18(3)4)16-21(7,8)14-22(19,9)10/h17-19H,13-16H2,1-12H3
InChIKeyPVCDVSRBCYBMJI-UHFFFAOYSA-N
XLogP7.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.64
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,4,4,7,7-hexamethyl-1,5-di(propan-2-yl)azocane
CID 126513346
2,2-dimethyl-1,4,5-tri(propan-2-yl)piperidine
CID 170250330
2-methyl-1,2,3-tri(propan-2-yl)pyrrolidine
CID 130250470
1,1-dimethyl-2-propan-2-ylcyclopropane;methane;1-methyl-1-propan-2-ylcyclopropane
CID 162220586
6-butan-2-yl-1,3,3,5,5-pentamethylazocane;uranium
CID 144835868
2,2,4,4,7,9,9,11,13,16,16,18,18-tridecamethyl-5-propan-2-yl-5-azabicyclo[8.8.0]octadecane
CID 139362635
2,2,6,6-tetramethyl-1,4-di(propan-2-yl)piperidine
CID 58730801
4-ethyl-2,2-dimethyl-1-propan-2-ylpyrrolidine
CID 170052638
2,2,4-trimethyl-1-propan-2-ylpiperazine
CID 121368614
1,1-dimethyl-2-propan-2-ylcyclopentane
CID 23384810
(3S)-1,1,2,3,5,5-hexamethylcyclohexane
CID 164756957
1,1,3,3-tetramethyl-2-propan-2-ylcyclobutane
CID 123542682

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,7,7,9,9-octamethyl-1,6-di(propan-2-yl)azecane?
The IUPAC name of 2,2,4,4,7,7,9,9-octamethyl-1,6-di(propan-2-yl)azecane (CID 142476230) is 2,2,4,4,7,7,9,9-octamethyl-1,6-di(propan-2-yl)azecane.
What is the SMILES notation for 2,2,4,4,7,7,9,9-octamethyl-1,6-di(propan-2-yl)azecane?
The canonical SMILES for 2,2,4,4,7,7,9,9-octamethyl-1,6-di(propan-2-yl)azecane is CC(C)C1CC(C)(C)CC(C)(C)N(C(C)C)CC(C)(C)CC1(C)C.
What is the InChIKey of 2,2,4,4,7,7,9,9-octamethyl-1,6-di(propan-2-yl)azecane?
The InChIKey is PVCDVSRBCYBMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47N/c1-17(2)19-13-20(5,6)15-23(11,12)24(18(3)4)16-21(7,8)14-22(19,9)10/h17-19H,13-16H2,1-12H3.
What are the key properties of 2,2,4,4,7,7,9,9-octamethyl-1,6-di(propan-2-yl)azecane?
2,2,4,4,7,7,9,9-octamethyl-1,6-di(propan-2-yl)azecane has a molecular weight of 337.64 g/mol, XLogP of 7.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,7,7,9,9-octamethyl-1,6-di(propan-2-yl)azecane is sourced from PubChem (CID 142476230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).