1-(2,2-dimethylpropyl)azocane

C12H25N — CID 131007399

IUPAC1-(2,2-dimethylpropyl)azocane
SMILESCC(C)(C)CN1CCCCCCC1
InChIInChI=1S/C12H25N/c1-12(2,3)11-13-9-7-5-4-6-8-10-13/h4-11H2,1-3H3
InChIKeyRDNDTFIYCJRMAC-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.30
Rot. Bonds1

About 1-(2,2-dimethylpropyl)azocane

1-(2,2-dimethylpropyl)azocane (PubChem CID 131007399) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)azocane.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)azocane
PubChem CID131007399
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name1-(2,2-dimethylpropyl)azocane
SMILESCC(C)(C)CN1CCCCCCC1
InChIInChI=1S/C12H25N/c1-12(2,3)11-13-9-7-5-4-6-8-10-13/h4-11H2,1-3H3
InChIKeyRDNDTFIYCJRMAC-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-dimethylpropyl)piperidine;ethane
CID 162156975
1,3-bis(2,2-dimethylpropyl)-1,3-diazepane
CID 102582052
1-(2,2-dimethylpropyl)azetidine;ethane;1-propylpyrrolidine
CID 142420911
1-(2,2-dimethylpropyl)piperidine;1-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpropane
CID 163709399
2,2-dimethylbutane;1-(2,2-dimethylpropyl)piperidine;1-ethoxy-2,2-dimethylpropane;methane
CID 158438314
1-(2,2-dimethylpropyl)-4-methylpiperazine
CID 12566800
1-(2,2-dimethylpropyl)-4-methylazepane
CID 142575360
1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperidine
CID 154467917
1-(2,2,3-trimethylbutyl)piperidine
CID 123629740
1-(2-methoxy-2-methylpropyl)piperidine
CID 23384646
1-(3,3-dimethylbutyl)azocane
CID 166986973
1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperidine
CID 159988708

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)azocane?
The IUPAC name of 1-(2,2-dimethylpropyl)azocane (CID 131007399) is 1-(2,2-dimethylpropyl)azocane.
What is the SMILES notation for 1-(2,2-dimethylpropyl)azocane?
The canonical SMILES for 1-(2,2-dimethylpropyl)azocane is CC(C)(C)CN1CCCCCCC1.
What is the InChIKey of 1-(2,2-dimethylpropyl)azocane?
The InChIKey is RDNDTFIYCJRMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-12(2,3)11-13-9-7-5-4-6-8-10-13/h4-11H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropyl)azocane?
1-(2,2-dimethylpropyl)azocane has a molecular weight of 183.34 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)azocane is sourced from PubChem (CID 131007399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).