2-(4-tert-butylcyclohexyl)-2-(2,5-dimethylpiperidin-1-yl)ethanamine

C19H38N2 — CID 104575450

IUPAC2-(4-tert-butylcyclohexyl)-2-(2,5-dimethylpiperidin-1-yl)ethanamine
SMILESCC1CCC(C)N(C(CN)C2CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C19H38N2/c1-14-6-7-15(2)21(13-14)18(12-20)16-8-10-17(11-9-16)19(3,4)5/h14-18H,6-13,20H2,1-5H3
InChIKeyHGKVQFIUJWSFCO-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.29
Rot. Bonds3

About 2-(4-tert-butylcyclohexyl)-2-(2,5-dimethylpiperidin-1-yl)ethanamine

2-(4-tert-butylcyclohexyl)-2-(2,5-dimethylpiperidin-1-yl)ethanamine (PubChem CID 104575450) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohexyl)-2-(2,5-dimethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butylcyclohexyl)-2-(2,5-dimethylpiperidin-1-yl)ethanamine
PubChem CID104575450
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name2-(4-tert-butylcyclohexyl)-2-(2,5-dimethylpiperidin-1-yl)ethanamine
SMILESCC1CCC(C)N(C(CN)C2CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C19H38N2/c1-14-6-7-15(2)21(13-14)18(12-20)16-8-10-17(11-9-16)19(3,4)5/h14-18H,6-13,20H2,1-5H3
InChIKeyHGKVQFIUJWSFCO-UHFFFAOYSA-N
XLogP4.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylcyclohexyl)-2-(2-methylazepan-1-yl)ethanamine
CID 104575420
2-(2,5-dimethylpiperidin-1-yl)-2-(thiolan-3-yl)ethanamine
CID 107132808
2-(4-tert-butylcyclohexyl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 104575324
2-(4-tert-butylcyclohexyl)-2-(3-ethylpyrrolidin-1-yl)ethanamine
CID 104575477
2-(4-tert-butylcyclohexyl)-2-(1,4-thiazepan-4-yl)ethanamine
CID 104575373
2-(4-tert-butylpiperidin-1-yl)-2-cyclohexylethanamine
CID 55191514
2-(4-tert-butylcyclohexyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 104575361
1,4-ditert-butylcyclohexane;bis(1,4-dimethylcyclohexane)
CID 158485591
1-tert-butyl-4-methylcyclohexane;hydrobromide
CID 70497409
2-(4-bromophenyl)-2-(4-tert-butylcyclohexyl)ethanamine
CID 83973803
1-tert-butyl-4-methylcyclohexane;methane;propane
CID 143180691
[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol
CID 104576136

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylcyclohexyl)-2-(2,5-dimethylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(4-tert-butylcyclohexyl)-2-(2,5-dimethylpiperidin-1-yl)ethanamine (CID 104575450) is 2-(4-tert-butylcyclohexyl)-2-(2,5-dimethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-tert-butylcyclohexyl)-2-(2,5-dimethylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(4-tert-butylcyclohexyl)-2-(2,5-dimethylpiperidin-1-yl)ethanamine is CC1CCC(C)N(C(CN)C2CCC(C(C)(C)C)CC2)C1.
What is the InChIKey of 2-(4-tert-butylcyclohexyl)-2-(2,5-dimethylpiperidin-1-yl)ethanamine?
The InChIKey is HGKVQFIUJWSFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-14-6-7-15(2)21(13-14)18(12-20)16-8-10-17(11-9-16)19(3,4)5/h14-18H,6-13,20H2,1-5H3.
What are the key properties of 2-(4-tert-butylcyclohexyl)-2-(2,5-dimethylpiperidin-1-yl)ethanamine?
2-(4-tert-butylcyclohexyl)-2-(2,5-dimethylpiperidin-1-yl)ethanamine has a molecular weight of 294.53 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylcyclohexyl)-2-(2,5-dimethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 104575450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).