3-[[cyclopropylmethyl(ethyl)amino]methyl]-N-methylpyridin-2-amine

C13H21N3 — CID 63956312

IUPAC3-[[cyclopropylmethyl(ethyl)amino]methyl]-N-methylpyridin-2-amine
SMILESCCN(Cc1cccnc1NC)CC1CC1
InChIInChI=1S/C13H21N3/c1-3-16(9-11-6-7-11)10-12-5-4-8-15-13(12)14-2/h4-5,8,11H,3,6-7,9-10H2,1-2H3,(H,14,15)
InChIKeyYWHWHGLICKYOMO-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.36
Rot. Bonds6

About 3-[[cyclopropylmethyl(ethyl)amino]methyl]-N-methylpyridin-2-amine

3-[[cyclopropylmethyl(ethyl)amino]methyl]-N-methylpyridin-2-amine (PubChem CID 63956312) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-[[cyclopropylmethyl(ethyl)amino]methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[[cyclopropylmethyl(ethyl)amino]methyl]-N-methylpyridin-2-amine
PubChem CID63956312
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name3-[[cyclopropylmethyl(ethyl)amino]methyl]-N-methylpyridin-2-amine
SMILESCCN(Cc1cccnc1NC)CC1CC1
InChIInChI=1S/C13H21N3/c1-3-16(9-11-6-7-11)10-12-5-4-8-15-13(12)14-2/h4-5,8,11H,3,6-7,9-10H2,1-2H3,(H,14,15)
InChIKeyYWHWHGLICKYOMO-UHFFFAOYSA-N
XLogP2.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropylmethyl(ethyl)amino]methyl]-N-methylpyridin-2-amine?
The IUPAC name of 3-[[cyclopropylmethyl(ethyl)amino]methyl]-N-methylpyridin-2-amine (CID 63956312) is 3-[[cyclopropylmethyl(ethyl)amino]methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 3-[[cyclopropylmethyl(ethyl)amino]methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 3-[[cyclopropylmethyl(ethyl)amino]methyl]-N-methylpyridin-2-amine is CCN(Cc1cccnc1NC)CC1CC1.
What is the InChIKey of 3-[[cyclopropylmethyl(ethyl)amino]methyl]-N-methylpyridin-2-amine?
The InChIKey is YWHWHGLICKYOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-16(9-11-6-7-11)10-12-5-4-8-15-13(12)14-2/h4-5,8,11H,3,6-7,9-10H2,1-2H3,(H,14,15).
What are the key properties of 3-[[cyclopropylmethyl(ethyl)amino]methyl]-N-methylpyridin-2-amine?
3-[[cyclopropylmethyl(ethyl)amino]methyl]-N-methylpyridin-2-amine has a molecular weight of 219.33 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropylmethyl(ethyl)amino]methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 63956312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).