N-tert-butyl-2-(4-ethylpiperidin-1-yl)-3-methylbutan-1-amine

C16H34N2 — CID 62412730

IUPACN-tert-butyl-2-(4-ethylpiperidin-1-yl)-3-methylbutan-1-amine
SMILESCCC1CCN(C(CNC(C)(C)C)C(C)C)CC1
InChIInChI=1S/C16H34N2/c1-7-14-8-10-18(11-9-14)15(13(2)3)12-17-16(4,5)6/h13-15,17H,7-12H2,1-6H3
InChIKeyFDVHJWLMSJXZHO-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds5

About N-tert-butyl-2-(4-ethylpiperidin-1-yl)-3-methylbutan-1-amine

N-tert-butyl-2-(4-ethylpiperidin-1-yl)-3-methylbutan-1-amine (PubChem CID 62412730) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-tert-butyl-2-(4-ethylpiperidin-1-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(4-ethylpiperidin-1-yl)-3-methylbutan-1-amine
PubChem CID62412730
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-tert-butyl-2-(4-ethylpiperidin-1-yl)-3-methylbutan-1-amine
SMILESCCC1CCN(C(CNC(C)(C)C)C(C)C)CC1
InChIInChI=1S/C16H34N2/c1-7-14-8-10-18(11-9-14)15(13(2)3)12-17-16(4,5)6/h13-15,17H,7-12H2,1-6H3
InChIKeyFDVHJWLMSJXZHO-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-ethylpiperidin-1-yl)-3-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-2-(4-ethylpiperidin-1-yl)-3-methylbutan-1-amine (CID 62412730) is N-tert-butyl-2-(4-ethylpiperidin-1-yl)-3-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(4-ethylpiperidin-1-yl)-3-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-2-(4-ethylpiperidin-1-yl)-3-methylbutan-1-amine is CCC1CCN(C(CNC(C)(C)C)C(C)C)CC1.
What is the InChIKey of N-tert-butyl-2-(4-ethylpiperidin-1-yl)-3-methylbutan-1-amine?
The InChIKey is FDVHJWLMSJXZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-7-14-8-10-18(11-9-14)15(13(2)3)12-17-16(4,5)6/h13-15,17H,7-12H2,1-6H3.
What are the key properties of N-tert-butyl-2-(4-ethylpiperidin-1-yl)-3-methylbutan-1-amine?
N-tert-butyl-2-(4-ethylpiperidin-1-yl)-3-methylbutan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-ethylpiperidin-1-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 62412730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).