2-butyl-1,6-dimethylazepane;ethane

C14H31N — CID 163393241

IUPAC2-butyl-1,6-dimethylazepane;ethane
SMILESCC.CCCCC1CCCC(C)CN1C
InChIInChI=1S/C12H25N.C2H6/c1-4-5-8-12-9-6-7-11(2)10-13(12)3;1-2/h11-12H,4-10H2,1-3H3;1-2H3
InChIKeyRVJBAWTVCWXILK-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.32
Rot. Bonds3

About 2-butyl-1,6-dimethylazepane;ethane

2-butyl-1,6-dimethylazepane;ethane (PubChem CID 163393241) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is 2-butyl-1,6-dimethylazepane;ethane.

Molecular Properties

Compound Name2-butyl-1,6-dimethylazepane;ethane
PubChem CID163393241
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Name2-butyl-1,6-dimethylazepane;ethane
SMILESCC.CCCCC1CCCC(C)CN1C
InChIInChI=1S/C12H25N.C2H6/c1-4-5-8-12-9-6-7-11(2)10-13(12)3;1-2/h11-12H,4-10H2,1-3H3;1-2H3
InChIKeyRVJBAWTVCWXILK-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-2-tetradecylpyrrolidine
CID 24796983
1-butyl-3-methylpiperidine;ethane
CID 143349503
1-butyl-2,6-dimethylazepane
CID 126990044
1-(2-butyl-5-methylpiperidin-1-yl)ethanone
CID 91136456
2-butyl-1-methylpiperidine;methanesulfonic acid
CID 175583536
[(2R,5S)-1,5-dimethylpiperidin-2-yl]methanol
CID 118033473
ethane;3-methyl-1-propylpiperidine
CID 156729460
2-butyl-1-hexylpiperidine
CID 171569565
heptane;methoxymethane;methylcyclobutane
CID 168881474
ethane;tris(methylcyclohexane);octane
CID 142912940
(2R,4S)-2-ethyl-1,4-dimethylpyrrolidine;(2R)-2-ethyl-1-methylpyrrolidine;(3S,5R)-5-ethyl-1,2,3-trimethylpyrrolidine;pentane
CID 159844642
1-butyl-2-methylcyclopentane;ethane
CID 143661628

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,6-dimethylazepane;ethane?
The IUPAC name of 2-butyl-1,6-dimethylazepane;ethane (CID 163393241) is 2-butyl-1,6-dimethylazepane;ethane.
What is the SMILES notation for 2-butyl-1,6-dimethylazepane;ethane?
The canonical SMILES for 2-butyl-1,6-dimethylazepane;ethane is CC.CCCCC1CCCC(C)CN1C.
What is the InChIKey of 2-butyl-1,6-dimethylazepane;ethane?
The InChIKey is RVJBAWTVCWXILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N.C2H6/c1-4-5-8-12-9-6-7-11(2)10-13(12)3;1-2/h11-12H,4-10H2,1-3H3;1-2H3.
What are the key properties of 2-butyl-1,6-dimethylazepane;ethane?
2-butyl-1,6-dimethylazepane;ethane has a molecular weight of 213.41 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,6-dimethylazepane;ethane is sourced from PubChem (CID 163393241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).