2-cyclohexyl-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine

C18H35N — CID 107188282

IUPAC2-cyclohexyl-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine
SMILESCCNC(CC1CCCCC1)C1CCCCC1(C)C
InChIInChI=1S/C18H35N/c1-4-19-17(14-15-10-6-5-7-11-15)16-12-8-9-13-18(16,2)3/h15-17,19H,4-14H2,1-3H3
InChIKeyMQFAWEVIOLOKRK-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.15
Rot. Bonds5

About 2-cyclohexyl-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine

2-cyclohexyl-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine (PubChem CID 107188282) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is 2-cyclohexyl-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-cyclohexyl-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine
PubChem CID107188282
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name2-cyclohexyl-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine
SMILESCCNC(CC1CCCCC1)C1CCCCC1(C)C
InChIInChI=1S/C18H35N/c1-4-19-17(14-15-10-6-5-7-11-15)16-12-8-9-13-18(16,2)3/h15-17,19H,4-14H2,1-3H3
InChIKeyMQFAWEVIOLOKRK-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine?
The IUPAC name of 2-cyclohexyl-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine (CID 107188282) is 2-cyclohexyl-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine.
What is the SMILES notation for 2-cyclohexyl-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine?
The canonical SMILES for 2-cyclohexyl-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine is CCNC(CC1CCCCC1)C1CCCCC1(C)C.
What is the InChIKey of 2-cyclohexyl-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine?
The InChIKey is MQFAWEVIOLOKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-4-19-17(14-15-10-6-5-7-11-15)16-12-8-9-13-18(16,2)3/h15-17,19H,4-14H2,1-3H3.
What are the key properties of 2-cyclohexyl-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine?
2-cyclohexyl-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine has a molecular weight of 265.48 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine is sourced from PubChem (CID 107188282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).