2-(4-tert-butylcyclohexyl)-2-(3-ethylpyrrolidin-1-yl)ethanamine

C18H36N2 — CID 104575477

IUPAC2-(4-tert-butylcyclohexyl)-2-(3-ethylpyrrolidin-1-yl)ethanamine
SMILESCCC1CCN(C(CN)C2CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C18H36N2/c1-5-14-10-11-20(13-14)17(12-19)15-6-8-16(9-7-15)18(2,3)4/h14-17H,5-13,19H2,1-4H3
InChIKeyQFZGCHHVHRJXKE-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.90
Rot. Bonds4

About 2-(4-tert-butylcyclohexyl)-2-(3-ethylpyrrolidin-1-yl)ethanamine

2-(4-tert-butylcyclohexyl)-2-(3-ethylpyrrolidin-1-yl)ethanamine (PubChem CID 104575477) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohexyl)-2-(3-ethylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butylcyclohexyl)-2-(3-ethylpyrrolidin-1-yl)ethanamine
PubChem CID104575477
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2-(4-tert-butylcyclohexyl)-2-(3-ethylpyrrolidin-1-yl)ethanamine
SMILESCCC1CCN(C(CN)C2CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C18H36N2/c1-5-14-10-11-20(13-14)17(12-19)15-6-8-16(9-7-15)18(2,3)4/h14-17H,5-13,19H2,1-4H3
InChIKeyQFZGCHHVHRJXKE-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylcyclohexyl)-2-(3-ethylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(4-tert-butylcyclohexyl)-2-(3-ethylpyrrolidin-1-yl)ethanamine (CID 104575477) is 2-(4-tert-butylcyclohexyl)-2-(3-ethylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-tert-butylcyclohexyl)-2-(3-ethylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(4-tert-butylcyclohexyl)-2-(3-ethylpyrrolidin-1-yl)ethanamine is CCC1CCN(C(CN)C2CCC(C(C)(C)C)CC2)C1.
What is the InChIKey of 2-(4-tert-butylcyclohexyl)-2-(3-ethylpyrrolidin-1-yl)ethanamine?
The InChIKey is QFZGCHHVHRJXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-5-14-10-11-20(13-14)17(12-19)15-6-8-16(9-7-15)18(2,3)4/h14-17H,5-13,19H2,1-4H3.
What are the key properties of 2-(4-tert-butylcyclohexyl)-2-(3-ethylpyrrolidin-1-yl)ethanamine?
2-(4-tert-butylcyclohexyl)-2-(3-ethylpyrrolidin-1-yl)ethanamine has a molecular weight of 280.50 g/mol, XLogP of 3.90, 4 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-(3-ethylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 104575477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).