ethane;1-methylazonane

C13H31N — CID 145157770

IUPACethane;1-methylazonane
SMILESCC.CC.CN1CCCCCCCC1
InChIInChI=1S/C9H19N.2C2H6/c1-10-8-6-4-2-3-5-7-9-10;2*1-2/h2-9H2,1H3;2*1-2H3
InChIKeyFEKLYWYDYJSGIZ-UHFFFAOYSA-N
MW201.40 g/mol
LogP4.32
Rot. Bonds

About ethane;1-methylazonane

ethane;1-methylazonane (PubChem CID 145157770) has the molecular formula C13H31N and a molecular weight of 201.40 g/mol. Its IUPAC name is ethane;1-methylazonane.

Molecular Properties

Compound Nameethane;1-methylazonane
PubChem CID145157770
Molecular FormulaC13H31N
Molecular Weight201.40 g/mol
Exact Mass201.25
IUPAC Nameethane;1-methylazonane
SMILESCC.CC.CN1CCCCCCCC1
InChIInChI=1S/C9H19N.2C2H6/c1-10-8-6-4-2-3-5-7-9-10;2*1-2/h2-9H2,1H3;2*1-2H3
InChIKeyFEKLYWYDYJSGIZ-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.40
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclohexane;cyclopentane;ethane;bis(1-methylpiperidine);bis(1-methylpyrrolidine)
CID 161378363
1,4-dimethylpiperazine;ethane;1-methylpiperidine
CID 170707096
bis(1,4-dimethylpiperazine);ethane;tris(1-methylpiperidine)
CID 157233170
1,4-dimethyl-1,4-diazecane;ethane
CID 143609892
1-methylpiperidine
CID 160757527
1-methylpiperidine
CID 90254979
ethane;bis(1-methylpyrrolidine)
CID 153385238
1,4-dimethylpiperazine;ethane;methane;1-methylpiperidine
CID 161204219
azane;ethane;methane;1-methylpiperidine
CID 159571038
ethane;methanol;1-methylazepane
CID 171650925
methane;1-methylpiperidine;bis(1-methylpyrrolidine)
CID 158442091
methane;tris(1-methylpiperidine)
CID 162076357

Frequently Asked Questions

What is the IUPAC name of ethane;1-methylazonane?
The IUPAC name of ethane;1-methylazonane (CID 145157770) is ethane;1-methylazonane.
What is the SMILES notation for ethane;1-methylazonane?
The canonical SMILES for ethane;1-methylazonane is CC.CC.CN1CCCCCCCC1.
What is the InChIKey of ethane;1-methylazonane?
The InChIKey is FEKLYWYDYJSGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.2C2H6/c1-10-8-6-4-2-3-5-7-9-10;2*1-2/h2-9H2,1H3;2*1-2H3.
What are the key properties of ethane;1-methylazonane?
ethane;1-methylazonane has a molecular weight of 201.40 g/mol, XLogP of 4.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylazonane is sourced from PubChem (CID 145157770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).