N-(2-ethylheptyl)piperidin-4-amine

C14H30N2 — CID 69327610

IUPACN-(2-ethylheptyl)piperidin-4-amine
SMILESCCCCCC(CC)CNC1CCNCC1
InChIInChI=1S/C14H30N2/c1-3-5-6-7-13(4-2)12-16-14-8-10-15-11-9-14/h13-16H,3-12H2,1-2H3
InChIKeyFIMOBIHRITUSRH-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.93
Rot. Bonds8

About N-(2-ethylheptyl)piperidin-4-amine

N-(2-ethylheptyl)piperidin-4-amine (PubChem CID 69327610) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-(2-ethylheptyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-ethylheptyl)piperidin-4-amine
PubChem CID69327610
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-(2-ethylheptyl)piperidin-4-amine
SMILESCCCCCC(CC)CNC1CCNCC1
InChIInChI=1S/C14H30N2/c1-3-5-6-7-13(4-2)12-16-14-8-10-15-11-9-14/h13-16H,3-12H2,1-2H3
InChIKeyFIMOBIHRITUSRH-UHFFFAOYSA-N
XLogP2.93
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
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-(2-ethylheptyl)piperidin-4-amine?
The IUPAC name of N-(2-ethylheptyl)piperidin-4-amine (CID 69327610) is N-(2-ethylheptyl)piperidin-4-amine.
What is the SMILES notation for N-(2-ethylheptyl)piperidin-4-amine?
The canonical SMILES for N-(2-ethylheptyl)piperidin-4-amine is CCCCCC(CC)CNC1CCNCC1.
What is the InChIKey of N-(2-ethylheptyl)piperidin-4-amine?
The InChIKey is FIMOBIHRITUSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-3-5-6-7-13(4-2)12-16-14-8-10-15-11-9-14/h13-16H,3-12H2,1-2H3.
What are the key properties of N-(2-ethylheptyl)piperidin-4-amine?
N-(2-ethylheptyl)piperidin-4-amine has a molecular weight of 226.41 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylheptyl)piperidin-4-amine is sourced from PubChem (CID 69327610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).