3-(2-methylpropyl)azecane

C13H27N — CID 91499893

IUPAC3-(2-methylpropyl)azecane
SMILESCC(C)CC1CCCCCCCNC1
InChIInChI=1S/C13H27N/c1-12(2)10-13-8-6-4-3-5-7-9-14-11-13/h12-14H,3-11H2,1-2H3
InChIKeySNGGAGMEKSZJMD-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.59
Rot. Bonds2

About 3-(2-methylpropyl)azecane

3-(2-methylpropyl)azecane (PubChem CID 91499893) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 3-(2-methylpropyl)azecane.

Molecular Properties

Compound Name3-(2-methylpropyl)azecane
PubChem CID91499893
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name3-(2-methylpropyl)azecane
SMILESCC(C)CC1CCCCCCCNC1
InChIInChI=1S/C13H27N/c1-12(2)10-13-8-6-4-3-5-7-9-14-11-13/h12-14H,3-11H2,1-2H3
InChIKeySNGGAGMEKSZJMD-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-methylpropyl)-azacyclododecane
CID 18705357
3-(2,3-dimethylbutyl)azepane
CID 155298331
3-(2-methoxypropyl)azepane
CID 104680705
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
3-ethylazonane
CID 154533924
2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112
cyclopentane;iron;2-methylpropylcyclopentane
CID 172726896
(3R)-3-[(2S)-2-methylbutyl]piperidine
CID 11744861
3-ethylazepane;2-methylpropanal
CID 145487003
3-(2-cyclobutylpropyl)piperidine
CID 130987572
2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159402972
methane;2-methylpropylcyclopentane
CID 161254337

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)azecane?
The IUPAC name of 3-(2-methylpropyl)azecane (CID 91499893) is 3-(2-methylpropyl)azecane.
What is the SMILES notation for 3-(2-methylpropyl)azecane?
The canonical SMILES for 3-(2-methylpropyl)azecane is CC(C)CC1CCCCCCCNC1.
What is the InChIKey of 3-(2-methylpropyl)azecane?
The InChIKey is SNGGAGMEKSZJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-12(2)10-13-8-6-4-3-5-7-9-14-11-13/h12-14H,3-11H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)azecane?
3-(2-methylpropyl)azecane has a molecular weight of 197.37 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)azecane is sourced from PubChem (CID 91499893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).