ethane;(4-ethyl-4-methylcyclohexyl)methanamine

C12H27N — CID 143414681

IUPACethane;(4-ethyl-4-methylcyclohexyl)methanamine
SMILESCC.CCC1(C)CCC(CN)CC1
InChIInChI=1S/C10H21N.C2H6/c1-3-10(2)6-4-9(8-11)5-7-10;1-2/h9H,3-8,11H2,1-2H3;1-2H3
InChIKeyBIESEULZHRQWMO-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.58
Rot. Bonds2

About ethane;(4-ethyl-4-methylcyclohexyl)methanamine

ethane;(4-ethyl-4-methylcyclohexyl)methanamine (PubChem CID 143414681) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is ethane;(4-ethyl-4-methylcyclohexyl)methanamine.

Molecular Properties

Compound Nameethane;(4-ethyl-4-methylcyclohexyl)methanamine
PubChem CID143414681
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Nameethane;(4-ethyl-4-methylcyclohexyl)methanamine
SMILESCC.CCC1(C)CCC(CN)CC1
InChIInChI=1S/C10H21N.C2H6/c1-3-10(2)6-4-9(8-11)5-7-10;1-2/h9H,3-8,11H2,1-2H3;1-2H3
InChIKeyBIESEULZHRQWMO-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-diethyl-1-methylcyclohexane;ethane
CID 144637328
[4-(aminomethyl)-4-methylcyclohexyl]methanamine
CID 123492077
4-ethyl-4-methylcyclohexane-1-thiol
CID 148627567
1,1-dimethylcyclopropane;1-ethyl-1-methylcyclopropane
CID 143562468
(5-ethyl-5-methylpiperidin-2-yl)methanamine
CID 165439097
(3-ethyl-1-methylcyclopentyl)methanamine
CID 65407293
[4-(aminomethyl)-1-methylcyclohexyl] hydrogen carbonate
CID 172908473
(4,4-dimethoxycyclohexyl)methanamine
CID 83695645
(5,5-dimethylcyclononyl)methanamine
CID 129138997
[4-ethyl-1-(4-ethyl-4-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 63465619
[4-(aminomethyl)cyclohexyl]methanamine
CID 158172497
1-ethyl-1,4-dimethylcycloheptane
CID 91266372

Frequently Asked Questions

What is the IUPAC name of ethane;(4-ethyl-4-methylcyclohexyl)methanamine?
The IUPAC name of ethane;(4-ethyl-4-methylcyclohexyl)methanamine (CID 143414681) is ethane;(4-ethyl-4-methylcyclohexyl)methanamine.
What is the SMILES notation for ethane;(4-ethyl-4-methylcyclohexyl)methanamine?
The canonical SMILES for ethane;(4-ethyl-4-methylcyclohexyl)methanamine is CC.CCC1(C)CCC(CN)CC1.
What is the InChIKey of ethane;(4-ethyl-4-methylcyclohexyl)methanamine?
The InChIKey is BIESEULZHRQWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C2H6/c1-3-10(2)6-4-9(8-11)5-7-10;1-2/h9H,3-8,11H2,1-2H3;1-2H3.
What are the key properties of ethane;(4-ethyl-4-methylcyclohexyl)methanamine?
ethane;(4-ethyl-4-methylcyclohexyl)methanamine has a molecular weight of 185.35 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-ethyl-4-methylcyclohexyl)methanamine is sourced from PubChem (CID 143414681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).