N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine

C16H34N2 — CID 55089717

IUPACN-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine
SMILESCC(C)C(C)NCCN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H34N2/c1-13(2)14(3)17-9-12-18-10-7-15(8-11-18)16(4,5)6/h13-15,17H,7-12H2,1-6H3
InChIKeyYPKSFRYBROSAEY-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.38
Rot. Bonds5

About N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine

N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine (PubChem CID 55089717) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine
PubChem CID55089717
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine
SMILESCC(C)C(C)NCCN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H34N2/c1-13(2)14(3)17-9-12-18-10-7-15(8-11-18)16(4,5)6/h13-15,17H,7-12H2,1-6H3
InChIKeyYPKSFRYBROSAEY-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine?
The IUPAC name of N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine (CID 55089717) is N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine.
What is the SMILES notation for N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine?
The canonical SMILES for N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine is CC(C)C(C)NCCN1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine?
The InChIKey is YPKSFRYBROSAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-13(2)14(3)17-9-12-18-10-7-15(8-11-18)16(4,5)6/h13-15,17H,7-12H2,1-6H3.
What are the key properties of N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine?
N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine has a molecular weight of 254.46 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine is sourced from PubChem (CID 55089717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).