N-[2-(4,4-diethylpiperidin-1-yl)propyl]pentan-3-amine

C17H36N2 — CID 55196839

IUPACN-[2-(4,4-diethylpiperidin-1-yl)propyl]pentan-3-amine
SMILESCCC(CC)NCC(C)N1CCC(CC)(CC)CC1
InChIInChI=1S/C17H36N2/c1-6-16(7-2)18-14-15(5)19-12-10-17(8-3,9-4)11-13-19/h15-16,18H,6-14H2,1-5H3
InChIKeyJVELPOKNSAMKRF-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.06
Rot. Bonds8

About N-[2-(4,4-diethylpiperidin-1-yl)propyl]pentan-3-amine

N-[2-(4,4-diethylpiperidin-1-yl)propyl]pentan-3-amine (PubChem CID 55196839) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N-[2-(4,4-diethylpiperidin-1-yl)propyl]pentan-3-amine.

Molecular Properties

Compound NameN-[2-(4,4-diethylpiperidin-1-yl)propyl]pentan-3-amine
PubChem CID55196839
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN-[2-(4,4-diethylpiperidin-1-yl)propyl]pentan-3-amine
SMILESCCC(CC)NCC(C)N1CCC(CC)(CC)CC1
InChIInChI=1S/C17H36N2/c1-6-16(7-2)18-14-15(5)19-12-10-17(8-3,9-4)11-13-19/h15-16,18H,6-14H2,1-5H3
InChIKeyJVELPOKNSAMKRF-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-diethylpiperidin-1-yl)propyl]pentan-3-amine?
The IUPAC name of N-[2-(4,4-diethylpiperidin-1-yl)propyl]pentan-3-amine (CID 55196839) is N-[2-(4,4-diethylpiperidin-1-yl)propyl]pentan-3-amine.
What is the SMILES notation for N-[2-(4,4-diethylpiperidin-1-yl)propyl]pentan-3-amine?
The canonical SMILES for N-[2-(4,4-diethylpiperidin-1-yl)propyl]pentan-3-amine is CCC(CC)NCC(C)N1CCC(CC)(CC)CC1.
What is the InChIKey of N-[2-(4,4-diethylpiperidin-1-yl)propyl]pentan-3-amine?
The InChIKey is JVELPOKNSAMKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-6-16(7-2)18-14-15(5)19-12-10-17(8-3,9-4)11-13-19/h15-16,18H,6-14H2,1-5H3.
What are the key properties of N-[2-(4,4-diethylpiperidin-1-yl)propyl]pentan-3-amine?
N-[2-(4,4-diethylpiperidin-1-yl)propyl]pentan-3-amine has a molecular weight of 268.49 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-diethylpiperidin-1-yl)propyl]pentan-3-amine is sourced from PubChem (CID 55196839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).