N-(1H-imidazol-5-ylmethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine

C14H21N3S — CID 46985577

IUPACN-(1H-imidazol-5-ylmethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCc1ccsc1CN(Cc1cnc[nH]1)CC(C)C
InChIInChI=1S/C14H21N3S/c1-11(2)7-17(8-13-6-15-10-16-13)9-14-12(3)4-5-18-14/h4-6,10-11H,7-9H2,1-3H3,(H,15,16)
InChIKeyGDNOORUVTMEHTE-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.44
Rot. Bonds6

About N-(1H-imidazol-5-ylmethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine

N-(1H-imidazol-5-ylmethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 46985577) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine
PubChem CID46985577
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN-(1H-imidazol-5-ylmethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCc1ccsc1CN(Cc1cnc[nH]1)CC(C)C
InChIInChI=1S/C14H21N3S/c1-11(2)7-17(8-13-6-15-10-16-13)9-14-12(3)4-5-18-14/h4-6,10-11H,7-9H2,1-3H3,(H,15,16)
InChIKeyGDNOORUVTMEHTE-UHFFFAOYSA-N
XLogP3.44
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine (CID 46985577) is N-(1H-imidazol-5-ylmethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine is Cc1ccsc1CN(Cc1cnc[nH]1)CC(C)C.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is GDNOORUVTMEHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-11(2)7-17(8-13-6-15-10-16-13)9-14-12(3)4-5-18-14/h4-6,10-11H,7-9H2,1-3H3,(H,15,16).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine?
N-(1H-imidazol-5-ylmethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 263.41 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 46985577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).