3-(2-methylpropyl)-azacyclododecane

C15H31N — CID 18705357

IUPAC3-(2-methylpropyl)-azacyclododecane
SMILESCC(C)CC1CCCCCCCCCNC1
InChIInChI=1S/C15H31N/c1-14(2)12-15-10-8-6-4-3-5-7-9-11-16-13-15/h14-16H,3-13H2,1-2H3
InChIKeyMVFXEGZAQBATDY-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.37
Rot. Bonds2

About 3-(2-methylpropyl)-azacyclododecane

3-(2-methylpropyl)-azacyclododecane (PubChem CID 18705357) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 3-(2-methylpropyl)-azacyclododecane.

Molecular Properties

Compound Name3-(2-methylpropyl)-azacyclododecane
PubChem CID18705357
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name3-(2-methylpropyl)-azacyclododecane
SMILESCC(C)CC1CCCCCCCCCNC1
InChIInChI=1S/C15H31N/c1-14(2)12-15-10-8-6-4-3-5-7-9-11-16-13-15/h14-16H,3-13H2,1-2H3
InChIKeyMVFXEGZAQBATDY-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-methylpropyl)azecane
CID 91499893
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)-azacyclododecane?
The IUPAC name of 3-(2-methylpropyl)-azacyclododecane (CID 18705357) is 3-(2-methylpropyl)-azacyclododecane.
What is the SMILES notation for 3-(2-methylpropyl)-azacyclododecane?
The canonical SMILES for 3-(2-methylpropyl)-azacyclododecane is CC(C)CC1CCCCCCCCCNC1.
What is the InChIKey of 3-(2-methylpropyl)-azacyclododecane?
The InChIKey is MVFXEGZAQBATDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-14(2)12-15-10-8-6-4-3-5-7-9-11-16-13-15/h14-16H,3-13H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-azacyclododecane?
3-(2-methylpropyl)-azacyclododecane has a molecular weight of 225.42 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-azacyclododecane is sourced from PubChem (CID 18705357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).