6-[[cyclopropylmethyl(ethyl)amino]methyl]-N-ethylpyridin-2-amine

C14H23N3 — CID 79233919

IUPAC6-[[cyclopropylmethyl(ethyl)amino]methyl]-N-ethylpyridin-2-amine
SMILESCCNc1cccc(CN(CC)CC2CC2)n1
InChIInChI=1S/C14H23N3/c1-3-15-14-7-5-6-13(16-14)11-17(4-2)10-12-8-9-12/h5-7,12H,3-4,8-11H2,1-2H3,(H,15,16)
InChIKeyLTOCAQUSSDAMGA-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.75
Rot. Bonds7

About 6-[[cyclopropylmethyl(ethyl)amino]methyl]-N-ethylpyridin-2-amine

6-[[cyclopropylmethyl(ethyl)amino]methyl]-N-ethylpyridin-2-amine (PubChem CID 79233919) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 6-[[cyclopropylmethyl(ethyl)amino]methyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name6-[[cyclopropylmethyl(ethyl)amino]methyl]-N-ethylpyridin-2-amine
PubChem CID79233919
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name6-[[cyclopropylmethyl(ethyl)amino]methyl]-N-ethylpyridin-2-amine
SMILESCCNc1cccc(CN(CC)CC2CC2)n1
InChIInChI=1S/C14H23N3/c1-3-15-14-7-5-6-13(16-14)11-17(4-2)10-12-8-9-12/h5-7,12H,3-4,8-11H2,1-2H3,(H,15,16)
InChIKeyLTOCAQUSSDAMGA-UHFFFAOYSA-N
XLogP2.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[cyclopropylmethyl(ethyl)amino]methyl]-N-ethylpyridin-2-amine?
The IUPAC name of 6-[[cyclopropylmethyl(ethyl)amino]methyl]-N-ethylpyridin-2-amine (CID 79233919) is 6-[[cyclopropylmethyl(ethyl)amino]methyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 6-[[cyclopropylmethyl(ethyl)amino]methyl]-N-ethylpyridin-2-amine?
The canonical SMILES for 6-[[cyclopropylmethyl(ethyl)amino]methyl]-N-ethylpyridin-2-amine is CCNc1cccc(CN(CC)CC2CC2)n1.
What is the InChIKey of 6-[[cyclopropylmethyl(ethyl)amino]methyl]-N-ethylpyridin-2-amine?
The InChIKey is LTOCAQUSSDAMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-15-14-7-5-6-13(16-14)11-17(4-2)10-12-8-9-12/h5-7,12H,3-4,8-11H2,1-2H3,(H,15,16).
What are the key properties of 6-[[cyclopropylmethyl(ethyl)amino]methyl]-N-ethylpyridin-2-amine?
6-[[cyclopropylmethyl(ethyl)amino]methyl]-N-ethylpyridin-2-amine has a molecular weight of 233.36 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[cyclopropylmethyl(ethyl)amino]methyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 79233919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).