5-(2-aminoethyl)-N-butan-2-yl-N-methylpyridin-2-amine

C12H21N3 — CID 80633431

IUPAC5-(2-aminoethyl)-N-butan-2-yl-N-methylpyridin-2-amine
SMILESCCC(C)N(C)c1ccc(CCN)cn1
InChIInChI=1S/C12H21N3/c1-4-10(2)15(3)12-6-5-11(7-8-13)9-14-12/h5-6,9-10H,4,7-8,13H2,1-3H3
InChIKeyYUXLELJVLZOUOL-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.82
Rot. Bonds5

About 5-(2-aminoethyl)-N-butan-2-yl-N-methylpyridin-2-amine

5-(2-aminoethyl)-N-butan-2-yl-N-methylpyridin-2-amine (PubChem CID 80633431) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-butan-2-yl-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-butan-2-yl-N-methylpyridin-2-amine
PubChem CID80633431
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name5-(2-aminoethyl)-N-butan-2-yl-N-methylpyridin-2-amine
SMILESCCC(C)N(C)c1ccc(CCN)cn1
InChIInChI=1S/C12H21N3/c1-4-10(2)15(3)12-6-5-11(7-8-13)9-14-12/h5-6,9-10H,4,7-8,13H2,1-3H3
InChIKeyYUXLELJVLZOUOL-UHFFFAOYSA-N
XLogP1.82
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tripelennamine
CID 5587
2-Aminopyridine
CID 10439
Tripelennamine Hydrochloride
CID 9066
2-Amino-4-methylpyridine
CID 1533
2-Amino-3-methylpyridine
CID 15347
2-Amino-5-methylpyridine
CID 15348
2-(Benzylamino)pyridine
CID 23362
2,2'-Dipyridylamine
CID 14547
1-(2-Pyridyl)piperazine
CID 94459
N-2-Pyridylaniline
CID 81130
2-Dimethylaminopyridine
CID 21885
2-Amino-5-(trifluoromethyl)pyridine
CID 735862

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-butan-2-yl-N-methylpyridin-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-butan-2-yl-N-methylpyridin-2-amine (CID 80633431) is 5-(2-aminoethyl)-N-butan-2-yl-N-methylpyridin-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-butan-2-yl-N-methylpyridin-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-butan-2-yl-N-methylpyridin-2-amine is CCC(C)N(C)c1ccc(CCN)cn1.
What is the InChIKey of 5-(2-aminoethyl)-N-butan-2-yl-N-methylpyridin-2-amine?
The InChIKey is YUXLELJVLZOUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-10(2)15(3)12-6-5-11(7-8-13)9-14-12/h5-6,9-10H,4,7-8,13H2,1-3H3.
What are the key properties of 5-(2-aminoethyl)-N-butan-2-yl-N-methylpyridin-2-amine?
5-(2-aminoethyl)-N-butan-2-yl-N-methylpyridin-2-amine has a molecular weight of 207.32 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-butan-2-yl-N-methylpyridin-2-amine is sourced from PubChem (CID 80633431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).