(1S)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-(5-methylthiophen-2-yl)ethanamine

C15H23N3S — CID 97232757

IUPAC(1S)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc([C@H](C)NCc2nccn2CC(C)C)s1
InChIInChI=1S/C15H23N3S/c1-11(2)10-18-8-7-16-15(18)9-17-13(4)14-6-5-12(3)19-14/h5-8,11,13,17H,9-10H2,1-4H3/t13-/m0/s1
InChIKeyNPNAAOXDDYSGJB-ZDUSSCGKSA-N
MW277.44 g/mol
LogP3.76
Rot. Bonds6

About (1S)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-(5-methylthiophen-2-yl)ethanamine

(1S)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-(5-methylthiophen-2-yl)ethanamine (PubChem CID 97232757) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is (1S)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-(5-methylthiophen-2-yl)ethanamine
PubChem CID97232757
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC Name(1S)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc([C@H](C)NCc2nccn2CC(C)C)s1
InChIInChI=1S/C15H23N3S/c1-11(2)10-18-8-7-16-15(18)9-17-13(4)14-6-5-12(3)19-14/h5-8,11,13,17H,9-10H2,1-4H3/t13-/m0/s1
InChIKeyNPNAAOXDDYSGJB-ZDUSSCGKSA-N
XLogP3.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of (1S)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-(5-methylthiophen-2-yl)ethanamine (CID 97232757) is (1S)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for (1S)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for (1S)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-(5-methylthiophen-2-yl)ethanamine is Cc1ccc([C@H](C)NCc2nccn2CC(C)C)s1.
What is the InChIKey of (1S)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is NPNAAOXDDYSGJB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N3S/c1-11(2)10-18-8-7-16-15(18)9-17-13(4)14-6-5-12(3)19-14/h5-8,11,13,17H,9-10H2,1-4H3/t13-/m0/s1.
What are the key properties of (1S)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-(5-methylthiophen-2-yl)ethanamine?
(1S)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 277.44 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 97232757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).