6-[(1S)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-3-amine

C15H26N4 — CID 105415245

IUPAC6-[(1S)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-3-amine
SMILESC[C@H](N)c1ccc(N(C)CC2(N(C)C)CCC2)cn1
InChIInChI=1S/C15H26N4/c1-12(16)14-7-6-13(10-17-14)19(4)11-15(18(2)3)8-5-9-15/h6-7,10,12H,5,8-9,11,16H2,1-4H3/t12-/m0/s1
InChIKeyQYAFBLHCCSTKKU-LBPRGKRZSA-N
MW262.40 g/mol
LogP2.02
Rot. Bonds5

About 6-[(1S)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-3-amine

6-[(1S)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-3-amine (PubChem CID 105415245) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 6-[(1S)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-3-amine.

Molecular Properties

Compound Name6-[(1S)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-3-amine
PubChem CID105415245
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name6-[(1S)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-3-amine
SMILESC[C@H](N)c1ccc(N(C)CC2(N(C)C)CCC2)cn1
InChIInChI=1S/C15H26N4/c1-12(16)14-7-6-13(10-17-14)19(4)11-15(18(2)3)8-5-9-15/h6-7,10,12H,5,8-9,11,16H2,1-4H3/t12-/m0/s1
InChIKeyQYAFBLHCCSTKKU-LBPRGKRZSA-N
XLogP2.02
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-3-amine?
The IUPAC name of 6-[(1S)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-3-amine (CID 105415245) is 6-[(1S)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-3-amine.
What is the SMILES notation for 6-[(1S)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-3-amine?
The canonical SMILES for 6-[(1S)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-3-amine is C[C@H](N)c1ccc(N(C)CC2(N(C)C)CCC2)cn1.
What is the InChIKey of 6-[(1S)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-3-amine?
The InChIKey is QYAFBLHCCSTKKU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26N4/c1-12(16)14-7-6-13(10-17-14)19(4)11-15(18(2)3)8-5-9-15/h6-7,10,12H,5,8-9,11,16H2,1-4H3/t12-/m0/s1.
What are the key properties of 6-[(1S)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-3-amine?
6-[(1S)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-3-amine has a molecular weight of 262.40 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-3-amine is sourced from PubChem (CID 105415245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).