N-[(3-ethyl-1-pyridin-4-ylcyclobutyl)methyl]ethanamine

C14H22N2 — CID 80525440

IUPACN-[(3-ethyl-1-pyridin-4-ylcyclobutyl)methyl]ethanamine
SMILESCCNCC1(c2ccncc2)CC(CC)C1
InChIInChI=1S/C14H22N2/c1-3-12-9-14(10-12,11-15-4-2)13-5-7-16-8-6-13/h5-8,12,15H,3-4,9-11H2,1-2H3
InChIKeyKZNKJWIURGGYLX-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.75
Rot. Bonds5

About N-[(3-ethyl-1-pyridin-4-ylcyclobutyl)methyl]ethanamine

N-[(3-ethyl-1-pyridin-4-ylcyclobutyl)methyl]ethanamine (PubChem CID 80525440) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-[(3-ethyl-1-pyridin-4-ylcyclobutyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethyl-1-pyridin-4-ylcyclobutyl)methyl]ethanamine
PubChem CID80525440
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-[(3-ethyl-1-pyridin-4-ylcyclobutyl)methyl]ethanamine
SMILESCCNCC1(c2ccncc2)CC(CC)C1
InChIInChI=1S/C14H22N2/c1-3-12-9-14(10-12,11-15-4-2)13-5-7-16-8-6-13/h5-8,12,15H,3-4,9-11H2,1-2H3
InChIKeyKZNKJWIURGGYLX-UHFFFAOYSA-N
XLogP2.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-pyridin-4-ylcyclobutyl)methyl]ethanamine?
The IUPAC name of N-[(3-ethyl-1-pyridin-4-ylcyclobutyl)methyl]ethanamine (CID 80525440) is N-[(3-ethyl-1-pyridin-4-ylcyclobutyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-ethyl-1-pyridin-4-ylcyclobutyl)methyl]ethanamine?
The canonical SMILES for N-[(3-ethyl-1-pyridin-4-ylcyclobutyl)methyl]ethanamine is CCNCC1(c2ccncc2)CC(CC)C1.
What is the InChIKey of N-[(3-ethyl-1-pyridin-4-ylcyclobutyl)methyl]ethanamine?
The InChIKey is KZNKJWIURGGYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-12-9-14(10-12,11-15-4-2)13-5-7-16-8-6-13/h5-8,12,15H,3-4,9-11H2,1-2H3.
What are the key properties of N-[(3-ethyl-1-pyridin-4-ylcyclobutyl)methyl]ethanamine?
N-[(3-ethyl-1-pyridin-4-ylcyclobutyl)methyl]ethanamine has a molecular weight of 218.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-pyridin-4-ylcyclobutyl)methyl]ethanamine is sourced from PubChem (CID 80525440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).