1-(3,3-dimethylbutyl)azocane

C13H27N — CID 166986973

IUPAC1-(3,3-dimethylbutyl)azocane
SMILESCC(C)(C)CCN1CCCCCCC1
InChIInChI=1S/C13H27N/c1-13(2,3)9-12-14-10-7-5-4-6-8-11-14/h4-12H2,1-3H3
InChIKeyRVRHHJBFJMXGCI-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.69
Rot. Bonds2

About 1-(3,3-dimethylbutyl)azocane

1-(3,3-dimethylbutyl)azocane (PubChem CID 166986973) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)azocane.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)azocane
PubChem CID166986973
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1-(3,3-dimethylbutyl)azocane
SMILESCC(C)(C)CCN1CCCCCCC1
InChIInChI=1S/C13H27N/c1-13(2,3)9-12-14-10-7-5-4-6-8-11-14/h4-12H2,1-3H3
InChIKeyRVRHHJBFJMXGCI-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

1-(11,11-dimethyldodecyl)piperidine
CID 118887407
4-(azocan-1-yl)-2-methylbutan-2-amine
CID 64678909
1-[4-[1-(3,3-dimethylbutyl)azepan-4-yl]-3,3-dimethylbutyl]azocane
CID 170446747
1-(3,3-dimethylbutyl)-4-methylpiperazine;ethane
CID 145236948
4-(azepan-1-yl)-2,2-dimethylbutan-1-amine
CID 65249592
N-chloro-2-methyl-4-piperidin-1-ylbutan-2-amine
CID 174621432
1-(2,2-dimethylpropyl)azocane
CID 131007399
4-(3,3-dimethylbutyl)-1,4-thiazinane 1-oxide
CID 68641609
4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)pyrrolidine;3,3-dimethyl-N,N-di(propan-2-yl)butan-1-amine
CID 158128158
4-(azepan-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 64796292
N'-hydroxy-2,2-dimethyl-4-piperidin-1-ylbutanimidamide
CID 77062923
1-(2,2-dimethylpropyl)piperidine;ethane
CID 162156975

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)azocane?
The IUPAC name of 1-(3,3-dimethylbutyl)azocane (CID 166986973) is 1-(3,3-dimethylbutyl)azocane.
What is the SMILES notation for 1-(3,3-dimethylbutyl)azocane?
The canonical SMILES for 1-(3,3-dimethylbutyl)azocane is CC(C)(C)CCN1CCCCCCC1.
What is the InChIKey of 1-(3,3-dimethylbutyl)azocane?
The InChIKey is RVRHHJBFJMXGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-13(2,3)9-12-14-10-7-5-4-6-8-11-14/h4-12H2,1-3H3.
What are the key properties of 1-(3,3-dimethylbutyl)azocane?
1-(3,3-dimethylbutyl)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-(3,3-dimethylbutyl)azocane is sourced from PubChem (CID 166986973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).