ethane;1,3,3-trimethyl-2-methylideneazepane

C12H25N — CID 143837467

IUPACethane;1,3,3-trimethyl-2-methylideneazepane
SMILESC=C1N(C)CCCCC1(C)C.CC
InChIInChI=1S/C10H19N.C2H6/c1-9-10(2,3)7-5-6-8-11(9)4;1-2/h1,5-8H2,2-4H3;1-2H3
InChIKeyJRJYKXMOFQXIIA-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.67
Rot. Bonds

About ethane;1,3,3-trimethyl-2-methylideneazepane

ethane;1,3,3-trimethyl-2-methylideneazepane (PubChem CID 143837467) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is ethane;1,3,3-trimethyl-2-methylideneazepane.

Molecular Properties

Compound Nameethane;1,3,3-trimethyl-2-methylideneazepane
PubChem CID143837467
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Nameethane;1,3,3-trimethyl-2-methylideneazepane
SMILESC=C1N(C)CCCCC1(C)C.CC
InChIInChI=1S/C10H19N.C2H6/c1-9-10(2,3)7-5-6-8-11(9)4;1-2/h1,5-8H2,2-4H3;1-2H3
InChIKeyJRJYKXMOFQXIIA-UHFFFAOYSA-N
XLogP3.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1,6,6-trimethylazecane
CID 137411495
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ethane;methane;1,1,2,2-tetramethylcyclohexane
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1,3-dimethyl-1,3-diazepan-2-one
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Frequently Asked Questions

What is the IUPAC name of ethane;1,3,3-trimethyl-2-methylideneazepane?
The IUPAC name of ethane;1,3,3-trimethyl-2-methylideneazepane (CID 143837467) is ethane;1,3,3-trimethyl-2-methylideneazepane.
What is the SMILES notation for ethane;1,3,3-trimethyl-2-methylideneazepane?
The canonical SMILES for ethane;1,3,3-trimethyl-2-methylideneazepane is C=C1N(C)CCCCC1(C)C.CC.
What is the InChIKey of ethane;1,3,3-trimethyl-2-methylideneazepane?
The InChIKey is JRJYKXMOFQXIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.C2H6/c1-9-10(2,3)7-5-6-8-11(9)4;1-2/h1,5-8H2,2-4H3;1-2H3.
What are the key properties of ethane;1,3,3-trimethyl-2-methylideneazepane?
ethane;1,3,3-trimethyl-2-methylideneazepane has a molecular weight of 183.34 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,3,3-trimethyl-2-methylideneazepane is sourced from PubChem (CID 143837467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).