6-[(1S)-1-aminoethyl]-N-methyl-N-(2-methylbutyl)pyridin-3-amine

C13H23N3 — CID 83123142

IUPAC6-[(1S)-1-aminoethyl]-N-methyl-N-(2-methylbutyl)pyridin-3-amine
SMILESCCC(C)CN(C)c1ccc([C@H](C)N)nc1
InChIInChI=1S/C13H23N3/c1-5-10(2)9-16(4)12-6-7-13(11(3)14)15-8-12/h6-8,10-11H,5,9,14H2,1-4H3/t10?,11-/m0/s1
InChIKeyASXLAAZRORPGSF-DTIOYNMSSA-N
MW221.35 g/mol
LogP2.58
Rot. Bonds5

About 6-[(1S)-1-aminoethyl]-N-methyl-N-(2-methylbutyl)pyridin-3-amine

6-[(1S)-1-aminoethyl]-N-methyl-N-(2-methylbutyl)pyridin-3-amine (PubChem CID 83123142) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 6-[(1S)-1-aminoethyl]-N-methyl-N-(2-methylbutyl)pyridin-3-amine.

Molecular Properties

Compound Name6-[(1S)-1-aminoethyl]-N-methyl-N-(2-methylbutyl)pyridin-3-amine
PubChem CID83123142
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name6-[(1S)-1-aminoethyl]-N-methyl-N-(2-methylbutyl)pyridin-3-amine
SMILESCCC(C)CN(C)c1ccc([C@H](C)N)nc1
InChIInChI=1S/C13H23N3/c1-5-10(2)9-16(4)12-6-7-13(11(3)14)15-8-12/h6-8,10-11H,5,9,14H2,1-4H3/t10?,11-/m0/s1
InChIKeyASXLAAZRORPGSF-DTIOYNMSSA-N
XLogP2.58
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1-aminoethyl)-N-methyl-N-(3-methylbutyl)pyridin-3-amine
CID 83122832
6-[(1R)-1-aminoethyl]-N-methyl-N-(2-methylprop-2-enyl)pyridin-3-amine
CID 104868613
6-[(1R)-1-aminoethyl]-N,N-dimethylpyridin-3-amine
CID 83122052
1-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol
CID 83121930
6-(1-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine
CID 83122822
6-(1-aminoethyl)-N-methyl-N-(2-methylbutan-2-yl)pyridin-3-amine
CID 83128029
6-(1-aminoethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
CID 83121898
6-(1-aminoethyl)-N-(cyclopentylmethyl)-N-methylpyridin-3-amine
CID 83127943
6-[(1S)-1-aminoethyl]-N-[(4-fluorophenyl)methyl]-N-methylpyridin-3-amine
CID 83122237
6-[(1S)-1-aminoethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-3-amine
CID 103955063
6-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylpyridin-3-amine
CID 83126972
6-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyridin-3-amine
CID 83122719

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-aminoethyl]-N-methyl-N-(2-methylbutyl)pyridin-3-amine?
The IUPAC name of 6-[(1S)-1-aminoethyl]-N-methyl-N-(2-methylbutyl)pyridin-3-amine (CID 83123142) is 6-[(1S)-1-aminoethyl]-N-methyl-N-(2-methylbutyl)pyridin-3-amine.
What is the SMILES notation for 6-[(1S)-1-aminoethyl]-N-methyl-N-(2-methylbutyl)pyridin-3-amine?
The canonical SMILES for 6-[(1S)-1-aminoethyl]-N-methyl-N-(2-methylbutyl)pyridin-3-amine is CCC(C)CN(C)c1ccc([C@H](C)N)nc1.
What is the InChIKey of 6-[(1S)-1-aminoethyl]-N-methyl-N-(2-methylbutyl)pyridin-3-amine?
The InChIKey is ASXLAAZRORPGSF-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-10(2)9-16(4)12-6-7-13(11(3)14)15-8-12/h6-8,10-11H,5,9,14H2,1-4H3/t10?,11-/m0/s1.
What are the key properties of 6-[(1S)-1-aminoethyl]-N-methyl-N-(2-methylbutyl)pyridin-3-amine?
6-[(1S)-1-aminoethyl]-N-methyl-N-(2-methylbutyl)pyridin-3-amine has a molecular weight of 221.35 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-aminoethyl]-N-methyl-N-(2-methylbutyl)pyridin-3-amine is sourced from PubChem (CID 83123142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).