6-(1-aminoethyl)-N-methyl-N-(2-methylbutan-2-yl)pyridin-3-amine

C13H23N3 — CID 83128029

IUPAC6-(1-aminoethyl)-N-methyl-N-(2-methylbutan-2-yl)pyridin-3-amine
SMILESCCC(C)(C)N(C)c1ccc(C(C)N)nc1
InChIInChI=1S/C13H23N3/c1-6-13(3,4)16(5)11-7-8-12(10(2)14)15-9-11/h7-10H,6,14H2,1-5H3
InChIKeyFDFPSUFJPLNLEJ-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.73
Rot. Bonds4

About 6-(1-aminoethyl)-N-methyl-N-(2-methylbutan-2-yl)pyridin-3-amine

6-(1-aminoethyl)-N-methyl-N-(2-methylbutan-2-yl)pyridin-3-amine (PubChem CID 83128029) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 6-(1-aminoethyl)-N-methyl-N-(2-methylbutan-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-(1-aminoethyl)-N-methyl-N-(2-methylbutan-2-yl)pyridin-3-amine
PubChem CID83128029
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name6-(1-aminoethyl)-N-methyl-N-(2-methylbutan-2-yl)pyridin-3-amine
SMILESCCC(C)(C)N(C)c1ccc(C(C)N)nc1
InChIInChI=1S/C13H23N3/c1-6-13(3,4)16(5)11-7-8-12(10(2)14)15-9-11/h7-10H,6,14H2,1-5H3
InChIKeyFDFPSUFJPLNLEJ-UHFFFAOYSA-N
XLogP2.73
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(1S)-1-aminopropyl]-N-methyl-N-(2-methylbutan-2-yl)pyridin-3-amine
CID 103937401
6-[(1R)-1-aminoethyl]-N,N-dimethylpyridin-3-amine
CID 83122052
6-[(1S)-1-aminoethyl]-N-methyl-N-(2-methylbutyl)pyridin-3-amine
CID 83123142
6-(1-aminoethyl)-N-methyl-N-(3-methylbutyl)pyridin-3-amine
CID 83122832
6-[(1S)-1-aminoethyl]-N-methyl-N-phenylpyridin-3-amine
CID 83121870
6-(1-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine
CID 83122822
6-[(1R)-1-aminoethyl]-N-ethyl-N-phenylpyridin-3-amine
CID 83122129
6-(1-aminoethyl)-N-cyclopropyl-N-methylpyridin-3-amine
CID 83122472
N'-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 83123025
N'-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 83122520
6-[(1S)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-3-amine
CID 103955063
6-[(1R)-1-aminoethyl]-N-methyl-N-(2-methylprop-2-enyl)pyridin-3-amine
CID 104868613

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminoethyl)-N-methyl-N-(2-methylbutan-2-yl)pyridin-3-amine?
The IUPAC name of 6-(1-aminoethyl)-N-methyl-N-(2-methylbutan-2-yl)pyridin-3-amine (CID 83128029) is 6-(1-aminoethyl)-N-methyl-N-(2-methylbutan-2-yl)pyridin-3-amine.
What is the SMILES notation for 6-(1-aminoethyl)-N-methyl-N-(2-methylbutan-2-yl)pyridin-3-amine?
The canonical SMILES for 6-(1-aminoethyl)-N-methyl-N-(2-methylbutan-2-yl)pyridin-3-amine is CCC(C)(C)N(C)c1ccc(C(C)N)nc1.
What is the InChIKey of 6-(1-aminoethyl)-N-methyl-N-(2-methylbutan-2-yl)pyridin-3-amine?
The InChIKey is FDFPSUFJPLNLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-6-13(3,4)16(5)11-7-8-12(10(2)14)15-9-11/h7-10H,6,14H2,1-5H3.
What are the key properties of 6-(1-aminoethyl)-N-methyl-N-(2-methylbutan-2-yl)pyridin-3-amine?
6-(1-aminoethyl)-N-methyl-N-(2-methylbutan-2-yl)pyridin-3-amine has a molecular weight of 221.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminoethyl)-N-methyl-N-(2-methylbutan-2-yl)pyridin-3-amine is sourced from PubChem (CID 83128029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).