3-(azepan-1-ylmethyl)-1-methylazocane

C15H30N2 — CID 129168492

IUPAC3-(azepan-1-ylmethyl)-1-methylazocane
SMILESCN1CCCCCC(CN2CCCCCC2)C1
InChIInChI=1S/C15H30N2/c1-16-10-6-4-5-9-15(13-16)14-17-11-7-2-3-8-12-17/h15H,2-14H2,1H3
InChIKeyVFIWVSJIYILNFA-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.98
Rot. Bonds2

About 3-(azepan-1-ylmethyl)-1-methylazocane

3-(azepan-1-ylmethyl)-1-methylazocane (PubChem CID 129168492) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 3-(azepan-1-ylmethyl)-1-methylazocane.

Molecular Properties

Compound Name3-(azepan-1-ylmethyl)-1-methylazocane
PubChem CID129168492
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name3-(azepan-1-ylmethyl)-1-methylazocane
SMILESCN1CCCCCC(CN2CCCCCC2)C1
InChIInChI=1S/C15H30N2/c1-16-10-6-4-5-9-15(13-16)14-17-11-7-2-3-8-12-17/h15H,2-14H2,1H3
InChIKeyVFIWVSJIYILNFA-UHFFFAOYSA-N
XLogP2.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(cyclohexylmethyl)piperidine;ethane;ethanol
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N,N-dimethyl-1-(1-methylazepan-3-yl)methanamine
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3-[[3-(aziridin-1-ylmethyl)azetidin-1-yl]methyl]-1-methylpyrrolidine
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1,4-bis[(1-methylazetidin-3-yl)methyl]piperazine
CID 169319674
[1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanamine
CID 156595342
1-(cyclohexylmethyl)piperidine;ethanol;prop-1-yne
CID 143571161
(3S)-1-ethyl-3-[[4-(1-methylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine
CID 171641277
1-[(4-methylcyclohexyl)methyl]piperidine
CID 58936411
1-(cyclobutylmethyl)azetidine
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Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-ylmethyl)-1-methylazocane?
The IUPAC name of 3-(azepan-1-ylmethyl)-1-methylazocane (CID 129168492) is 3-(azepan-1-ylmethyl)-1-methylazocane.
What is the SMILES notation for 3-(azepan-1-ylmethyl)-1-methylazocane?
The canonical SMILES for 3-(azepan-1-ylmethyl)-1-methylazocane is CN1CCCCCC(CN2CCCCCC2)C1.
What is the InChIKey of 3-(azepan-1-ylmethyl)-1-methylazocane?
The InChIKey is VFIWVSJIYILNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-16-10-6-4-5-9-15(13-16)14-17-11-7-2-3-8-12-17/h15H,2-14H2,1H3.
What are the key properties of 3-(azepan-1-ylmethyl)-1-methylazocane?
3-(azepan-1-ylmethyl)-1-methylazocane has a molecular weight of 238.42 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-ylmethyl)-1-methylazocane is sourced from PubChem (CID 129168492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).