(2S)-2-methylazocane

C8H17N — CID 137404038

IUPAC(2S)-2-methylazocane
SMILESC[C@H]1CCCCCCN1
InChIInChI=1S/C8H17N/c1-8-6-4-2-3-5-7-9-8/h8-9H,2-7H2,1H3/t8-/m0/s1
InChIKeyMHEHELVTSIPICT-QMMMGPOBSA-N
MW127.23 g/mol
LogP1.93
Rot. Bonds

About (2S)-2-methylazocane

(2S)-2-methylazocane (PubChem CID 137404038) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (2S)-2-methylazocane.

Molecular Properties

Compound Name(2S)-2-methylazocane
PubChem CID137404038
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(2S)-2-methylazocane
SMILESC[C@H]1CCCCCCN1
InChIInChI=1S/C8H17N/c1-8-6-4-2-3-5-7-9-8/h8-9H,2-7H2,1H3/t8-/m0/s1
InChIKeyMHEHELVTSIPICT-QMMMGPOBSA-N
XLogP1.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-methylazonane
CID 89251055
2-methylpiperidine
CID 7974
methane;2-methylpiperidine
CID 159247179
(2S)-2-methylpiperidine;(2S)-2-methylpyrrolidine
CID 164977059
2-methylpyrrolidine
CID 13003
2-methylpyrrolidine
CID 142041388
ethane;methyl formate;(2S)-2-methylpiperidine
CID 162751563
2-methylpiperidine;oxan-4-amine
CID 142432277
2,3-dihydroxybutanedioic acid;(2R)-2-methylpiperidine
CID 21041485
formic acid;(2R)-2-methylpyrrolidine
CID 143602308
(2R,7S)-2,7-dimethylazocane
CID 146199429
2-methyl-1,5,9-triazacyclododecane
CID 22113611

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methylazocane?
The IUPAC name of (2S)-2-methylazocane (CID 137404038) is (2S)-2-methylazocane.
What is the SMILES notation for (2S)-2-methylazocane?
The canonical SMILES for (2S)-2-methylazocane is C[C@H]1CCCCCCN1.
What is the InChIKey of (2S)-2-methylazocane?
The InChIKey is MHEHELVTSIPICT-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17N/c1-8-6-4-2-3-5-7-9-8/h8-9H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-2-methylazocane?
(2S)-2-methylazocane has a molecular weight of 127.23 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methylazocane is sourced from PubChem (CID 137404038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).