N-[1-(1-ethylpiperidin-3-yl)ethyl]octan-1-amine

C17H36N2 — CID 115566809

IUPACN-[1-(1-ethylpiperidin-3-yl)ethyl]octan-1-amine
SMILESCCCCCCCCNC(C)C1CCCN(CC)C1
InChIInChI=1S/C17H36N2/c1-4-6-7-8-9-10-13-18-16(3)17-12-11-14-19(5-2)15-17/h16-18H,4-15H2,1-3H3
InChIKeyCBOGVJFPFZZYJZ-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.06
Rot. Bonds10

About N-[1-(1-ethylpiperidin-3-yl)ethyl]octan-1-amine

N-[1-(1-ethylpiperidin-3-yl)ethyl]octan-1-amine (PubChem CID 115566809) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N-[1-(1-ethylpiperidin-3-yl)ethyl]octan-1-amine.

Molecular Properties

Compound NameN-[1-(1-ethylpiperidin-3-yl)ethyl]octan-1-amine
PubChem CID115566809
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN-[1-(1-ethylpiperidin-3-yl)ethyl]octan-1-amine
SMILESCCCCCCCCNC(C)C1CCCN(CC)C1
InChIInChI=1S/C17H36N2/c1-4-6-7-8-9-10-13-18-16(3)17-12-11-14-19(5-2)15-17/h16-18H,4-15H2,1-3H3
InChIKeyCBOGVJFPFZZYJZ-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpiperidin-3-yl)ethyl]octan-1-amine?
The IUPAC name of N-[1-(1-ethylpiperidin-3-yl)ethyl]octan-1-amine (CID 115566809) is N-[1-(1-ethylpiperidin-3-yl)ethyl]octan-1-amine.
What is the SMILES notation for N-[1-(1-ethylpiperidin-3-yl)ethyl]octan-1-amine?
The canonical SMILES for N-[1-(1-ethylpiperidin-3-yl)ethyl]octan-1-amine is CCCCCCCCNC(C)C1CCCN(CC)C1.
What is the InChIKey of N-[1-(1-ethylpiperidin-3-yl)ethyl]octan-1-amine?
The InChIKey is CBOGVJFPFZZYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-4-6-7-8-9-10-13-18-16(3)17-12-11-14-19(5-2)15-17/h16-18H,4-15H2,1-3H3.
What are the key properties of N-[1-(1-ethylpiperidin-3-yl)ethyl]octan-1-amine?
N-[1-(1-ethylpiperidin-3-yl)ethyl]octan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 4.06, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpiperidin-3-yl)ethyl]octan-1-amine is sourced from PubChem (CID 115566809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).