2-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclohexan-1-amine

C18H36N2 — CID 63455793

IUPAC2-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclohexan-1-amine
SMILESCC1CCN(CCNC2CCCCC2C(C)(C)C)CC1
InChIInChI=1S/C18H36N2/c1-15-9-12-20(13-10-15)14-11-19-17-8-6-5-7-16(17)18(2,3)4/h15-17,19H,5-14H2,1-4H3
InChIKeyFQTXZSUPPXMUFM-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.91
Rot. Bonds4

About 2-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclohexan-1-amine

2-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclohexan-1-amine (PubChem CID 63455793) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclohexan-1-amine
PubChem CID63455793
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclohexan-1-amine
SMILESCC1CCN(CCNC2CCCCC2C(C)(C)C)CC1
InChIInChI=1S/C18H36N2/c1-15-9-12-20(13-10-15)14-11-19-17-8-6-5-7-16(17)18(2,3)4/h15-17,19H,5-14H2,1-4H3
InChIKeyFQTXZSUPPXMUFM-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclohexan-1-amine (CID 63455793) is 2-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclohexan-1-amine is CC1CCN(CCNC2CCCCC2C(C)(C)C)CC1.
What is the InChIKey of 2-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclohexan-1-amine?
The InChIKey is FQTXZSUPPXMUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-15-9-12-20(13-10-15)14-11-19-17-8-6-5-7-16(17)18(2,3)4/h15-17,19H,5-14H2,1-4H3.
What are the key properties of 2-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclohexan-1-amine?
2-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclohexan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 63455793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).