8-(2-ethylcyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine

C18H31N — CID 55251575

IUPAC8-(2-ethylcyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCCC1CCCCC1C1(N)CC2CC1C1CCCC21
InChIInChI=1S/C18H31N/c1-2-12-6-3-4-9-16(12)18(19)11-13-10-17(18)15-8-5-7-14(13)15/h12-17H,2-11,19H2,1H3
InChIKeyQSULXYSLUHZPGP-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.36
Rot. Bonds2

About 8-(2-ethylcyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine

8-(2-ethylcyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 55251575) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 8-(2-ethylcyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound Name8-(2-ethylcyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID55251575
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name8-(2-ethylcyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCCC1CCCCC1C1(N)CC2CC1C1CCCC21
InChIInChI=1S/C18H31N/c1-2-12-6-3-4-9-16(12)18(19)11-13-10-17(18)15-8-5-7-14(13)15/h12-17H,2-11,19H2,1H3
InChIKeyQSULXYSLUHZPGP-UHFFFAOYSA-N
XLogP4.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-(2-ethylcyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of 8-(2-ethylcyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine (CID 55251575) is 8-(2-ethylcyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for 8-(2-ethylcyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for 8-(2-ethylcyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine is CCC1CCCCC1C1(N)CC2CC1C1CCCC21.
What is the InChIKey of 8-(2-ethylcyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is QSULXYSLUHZPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-2-12-6-3-4-9-16(12)18(19)11-13-10-17(18)15-8-5-7-14(13)15/h12-17H,2-11,19H2,1H3.
What are the key properties of 8-(2-ethylcyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine?
8-(2-ethylcyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 261.45 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-ethylcyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 55251575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).