1,2,3-trimethylazocane

C10H21N — CID 58293714

IUPAC1,2,3-trimethylazocane
SMILESCC1CCCCCN(C)C1C
InChIInChI=1S/C10H21N/c1-9-7-5-4-6-8-11(3)10(9)2/h9-10H,4-8H2,1-3H3
InChIKeyNDFOLSODCOAYAL-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.52
Rot. Bonds

About 1,2,3-trimethylazocane

1,2,3-trimethylazocane (PubChem CID 58293714) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 1,2,3-trimethylazocane.

Molecular Properties

Compound Name1,2,3-trimethylazocane
PubChem CID58293714
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name1,2,3-trimethylazocane
SMILESCC1CCCCCN(C)C1C
InChIInChI=1S/C10H21N/c1-9-7-5-4-6-8-11(3)10(9)2/h9-10H,4-8H2,1-3H3
InChIKeyNDFOLSODCOAYAL-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 70316000
1-methyl-2-(2-methylcyclooctyl)azocane
CID 90987666
1,2-dimethylcyclononadecane
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1,2-dimethylcycloicosane
CID 123296856
1,2,3,4-tetramethylpiperazine
CID 66583347
1,2,3,4-tetramethylpiperidine
CID 23146803
methylcyclohexane;bis(1-methylpiperidine);1-methylpyrrolidine
CID 158500859
(2S)-2-iodo-1-methylpiperidine
CID 130374385
1-(1-methylpiperidin-2-yl)cyclohexan-1-ol
CID 15758094
2-(difluoromethyl)-1-methylazepane
CID 123397217

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethylazocane?
The IUPAC name of 1,2,3-trimethylazocane (CID 58293714) is 1,2,3-trimethylazocane.
What is the SMILES notation for 1,2,3-trimethylazocane?
The canonical SMILES for 1,2,3-trimethylazocane is CC1CCCCCN(C)C1C.
What is the InChIKey of 1,2,3-trimethylazocane?
The InChIKey is NDFOLSODCOAYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-9-7-5-4-6-8-11(3)10(9)2/h9-10H,4-8H2,1-3H3.
What are the key properties of 1,2,3-trimethylazocane?
1,2,3-trimethylazocane has a molecular weight of 155.28 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethylazocane is sourced from PubChem (CID 58293714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).