N-(1-cyclopropylbutyl)-3-ethylpyridin-2-amine

C14H22N2 — CID 115929561

IUPACN-(1-cyclopropylbutyl)-3-ethylpyridin-2-amine
SMILESCCCC(Nc1ncccc1CC)C1CC1
InChIInChI=1S/C14H22N2/c1-3-6-13(12-8-9-12)16-14-11(4-2)7-5-10-15-14/h5,7,10,12-13H,3-4,6,8-9H2,1-2H3,(H,15,16)
InChIKeyNJHFSHSDSROXLF-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.63
Rot. Bonds6

About N-(1-cyclopropylbutyl)-3-ethylpyridin-2-amine

N-(1-cyclopropylbutyl)-3-ethylpyridin-2-amine (PubChem CID 115929561) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-(1-cyclopropylbutyl)-3-ethylpyridin-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropylbutyl)-3-ethylpyridin-2-amine
PubChem CID115929561
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-(1-cyclopropylbutyl)-3-ethylpyridin-2-amine
SMILESCCCC(Nc1ncccc1CC)C1CC1
InChIInChI=1S/C14H22N2/c1-3-6-13(12-8-9-12)16-14-11(4-2)7-5-10-15-14/h5,7,10,12-13H,3-4,6,8-9H2,1-2H3,(H,15,16)
InChIKeyNJHFSHSDSROXLF-UHFFFAOYSA-N
XLogP3.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylbutyl)-3-ethylpyridin-2-amine?
The IUPAC name of N-(1-cyclopropylbutyl)-3-ethylpyridin-2-amine (CID 115929561) is N-(1-cyclopropylbutyl)-3-ethylpyridin-2-amine.
What is the SMILES notation for N-(1-cyclopropylbutyl)-3-ethylpyridin-2-amine?
The canonical SMILES for N-(1-cyclopropylbutyl)-3-ethylpyridin-2-amine is CCCC(Nc1ncccc1CC)C1CC1.
What is the InChIKey of N-(1-cyclopropylbutyl)-3-ethylpyridin-2-amine?
The InChIKey is NJHFSHSDSROXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-6-13(12-8-9-12)16-14-11(4-2)7-5-10-15-14/h5,7,10,12-13H,3-4,6,8-9H2,1-2H3,(H,15,16).
What are the key properties of N-(1-cyclopropylbutyl)-3-ethylpyridin-2-amine?
N-(1-cyclopropylbutyl)-3-ethylpyridin-2-amine has a molecular weight of 218.34 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylbutyl)-3-ethylpyridin-2-amine is sourced from PubChem (CID 115929561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).