ethane;(2-ethyl-3-methylcyclohexyl)methanamine

C12H27N — CID 176567234

IUPACethane;(2-ethyl-3-methylcyclohexyl)methanamine
SMILESCC.CCC1C(C)CCCC1CN
InChIInChI=1S/C10H21N.C2H6/c1-3-10-8(2)5-4-6-9(10)7-11;1-2/h8-10H,3-7,11H2,1-2H3;1-2H3
InChIKeyRYZNGJWMQLULPW-UHFFFAOYSA-N
MW185.36 g/mol
LogP3.43
Rot. Bonds2

About ethane;(2-ethyl-3-methylcyclohexyl)methanamine

ethane;(2-ethyl-3-methylcyclohexyl)methanamine (PubChem CID 176567234) has the molecular formula C12H27N and a molecular weight of 185.36 g/mol. Its IUPAC name is ethane;(2-ethyl-3-methylcyclohexyl)methanamine.

Molecular Properties

Compound Nameethane;(2-ethyl-3-methylcyclohexyl)methanamine
PubChem CID176567234
Molecular FormulaC12H27N
Molecular Weight185.36 g/mol
Exact Mass185.21
IUPAC Nameethane;(2-ethyl-3-methylcyclohexyl)methanamine
SMILESCC.CCC1C(C)CCCC1CN
InChIInChI=1S/C10H21N.C2H6/c1-3-10-8(2)5-4-6-9(10)7-11;1-2/h8-10H,3-7,11H2,1-2H3;1-2H3
InChIKeyRYZNGJWMQLULPW-UHFFFAOYSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,3R)-2-ethyl-1,3-dimethylcyclohexane
CID 124506499
(2-methylcyclodecyl)methanamine
CID 163635360
2-ethyl-3-methylcycloheptan-1-amine
CID 139376160
(2,7-dimethylcycloheptyl)methanamine
CID 83905212
ethane;trans-(1S,2R)-1-ethyl-2-methylcyclohexane
CID 143479638
[(1S,2R)-2-ethylcyclohexyl]methanamine
CID 124508805
carbanide;cyclopentane;ethane;1-ethyl-2-methylcyclopentane;iron(2+)
CID 162283607
cis-(2R,3S)-2-ethyl-3-methylcyclopentan-1-amine
CID 163832178
[(1S,2S)-2-propylcyclopentyl]methanamine
CID 124512847
cis-(1S,2S)-1-ethyl-2-methylcyclohexane
CID 23620237
2-(2,6-diethylcyclohexyl)-1,3-dimethylcyclohexane
CID 123341709
2-ethyl-3-methylbicyclo[5.1.0]octane
CID 123245029

Frequently Asked Questions

What is the IUPAC name of ethane;(2-ethyl-3-methylcyclohexyl)methanamine?
The IUPAC name of ethane;(2-ethyl-3-methylcyclohexyl)methanamine (CID 176567234) is ethane;(2-ethyl-3-methylcyclohexyl)methanamine.
What is the SMILES notation for ethane;(2-ethyl-3-methylcyclohexyl)methanamine?
The canonical SMILES for ethane;(2-ethyl-3-methylcyclohexyl)methanamine is CC.CCC1C(C)CCCC1CN.
What is the InChIKey of ethane;(2-ethyl-3-methylcyclohexyl)methanamine?
The InChIKey is RYZNGJWMQLULPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C2H6/c1-3-10-8(2)5-4-6-9(10)7-11;1-2/h8-10H,3-7,11H2,1-2H3;1-2H3.
What are the key properties of ethane;(2-ethyl-3-methylcyclohexyl)methanamine?
ethane;(2-ethyl-3-methylcyclohexyl)methanamine has a molecular weight of 185.36 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2-ethyl-3-methylcyclohexyl)methanamine is sourced from PubChem (CID 176567234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).