N-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-2-methylbutan-1-amine

C15H32N2 — CID 79470769

IUPACN-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-2-methylbutan-1-amine
SMILESCCC(C)CN(CC)CC1(CC)CCNCC1
InChIInChI=1S/C15H32N2/c1-5-14(4)12-17(7-3)13-15(6-2)8-10-16-11-9-15/h14,16H,5-13H2,1-4H3
InChIKeyVNZDVTGIFOLWHQ-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.13
Rot. Bonds7

About N-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-2-methylbutan-1-amine

N-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-2-methylbutan-1-amine (PubChem CID 79470769) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-2-methylbutan-1-amine
PubChem CID79470769
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-2-methylbutan-1-amine
SMILESCCC(C)CN(CC)CC1(CC)CCNCC1
InChIInChI=1S/C15H32N2/c1-5-14(4)12-17(7-3)13-15(6-2)8-10-16-11-9-15/h14,16H,5-13H2,1-4H3
InChIKeyVNZDVTGIFOLWHQ-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-2-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-2-methylbutan-1-amine?
The IUPAC name of N-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-2-methylbutan-1-amine (CID 79470769) is N-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-2-methylbutan-1-amine.
What is the SMILES notation for N-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-2-methylbutan-1-amine?
The canonical SMILES for N-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-2-methylbutan-1-amine is CCC(C)CN(CC)CC1(CC)CCNCC1.
What is the InChIKey of N-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-2-methylbutan-1-amine?
The InChIKey is VNZDVTGIFOLWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-14(4)12-17(7-3)13-15(6-2)8-10-16-11-9-15/h14,16H,5-13H2,1-4H3.
What are the key properties of N-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-2-methylbutan-1-amine?
N-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-2-methylbutan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-2-methylbutan-1-amine is sourced from PubChem (CID 79470769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).