2-[[cyclopropylmethyl(propyl)amino]methyl]-N-ethylpyridin-4-amine

C15H25N3 — CID 79245674

IUPAC2-[[cyclopropylmethyl(propyl)amino]methyl]-N-ethylpyridin-4-amine
SMILESCCCN(Cc1cc(NCC)ccn1)CC1CC1
InChIInChI=1S/C15H25N3/c1-3-9-18(11-13-5-6-13)12-15-10-14(16-4-2)7-8-17-15/h7-8,10,13H,3-6,9,11-12H2,1-2H3,(H,16,17)
InChIKeyQCANDZFIRKCAIB-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.14
Rot. Bonds8

About 2-[[cyclopropylmethyl(propyl)amino]methyl]-N-ethylpyridin-4-amine

2-[[cyclopropylmethyl(propyl)amino]methyl]-N-ethylpyridin-4-amine (PubChem CID 79245674) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-[[cyclopropylmethyl(propyl)amino]methyl]-N-ethylpyridin-4-amine.

Molecular Properties

Compound Name2-[[cyclopropylmethyl(propyl)amino]methyl]-N-ethylpyridin-4-amine
PubChem CID79245674
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-[[cyclopropylmethyl(propyl)amino]methyl]-N-ethylpyridin-4-amine
SMILESCCCN(Cc1cc(NCC)ccn1)CC1CC1
InChIInChI=1S/C15H25N3/c1-3-9-18(11-13-5-6-13)12-15-10-14(16-4-2)7-8-17-15/h7-8,10,13H,3-6,9,11-12H2,1-2H3,(H,16,17)
InChIKeyQCANDZFIRKCAIB-UHFFFAOYSA-N
XLogP3.14
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropylmethyl(propyl)amino]methyl]-N-ethylpyridin-4-amine?
The IUPAC name of 2-[[cyclopropylmethyl(propyl)amino]methyl]-N-ethylpyridin-4-amine (CID 79245674) is 2-[[cyclopropylmethyl(propyl)amino]methyl]-N-ethylpyridin-4-amine.
What is the SMILES notation for 2-[[cyclopropylmethyl(propyl)amino]methyl]-N-ethylpyridin-4-amine?
The canonical SMILES for 2-[[cyclopropylmethyl(propyl)amino]methyl]-N-ethylpyridin-4-amine is CCCN(Cc1cc(NCC)ccn1)CC1CC1.
What is the InChIKey of 2-[[cyclopropylmethyl(propyl)amino]methyl]-N-ethylpyridin-4-amine?
The InChIKey is QCANDZFIRKCAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-9-18(11-13-5-6-13)12-15-10-14(16-4-2)7-8-17-15/h7-8,10,13H,3-6,9,11-12H2,1-2H3,(H,16,17).
What are the key properties of 2-[[cyclopropylmethyl(propyl)amino]methyl]-N-ethylpyridin-4-amine?
2-[[cyclopropylmethyl(propyl)amino]methyl]-N-ethylpyridin-4-amine has a molecular weight of 247.39 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropylmethyl(propyl)amino]methyl]-N-ethylpyridin-4-amine is sourced from PubChem (CID 79245674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).