N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine

C12H17N3S — CID 43754998

IUPACN-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccs1)c1nccn1C
InChIInChI=1S/C12H17N3S/c1-3-6-13-11(10-5-4-9-16-10)12-14-7-8-15(12)2/h4-5,7-9,11,13H,3,6H2,1-2H3
InChIKeyLXICNBAPFQRIBA-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.57
Rot. Bonds5

About N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine

N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine (PubChem CID 43754998) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
PubChem CID43754998
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC NameN-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccs1)c1nccn1C
InChIInChI=1S/C12H17N3S/c1-3-6-13-11(10-5-4-9-16-10)12-14-7-8-15(12)2/h4-5,7-9,11,13H,3,6H2,1-2H3
InChIKeyLXICNBAPFQRIBA-UHFFFAOYSA-N
XLogP2.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-propylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 61318763
3-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]propan-1-ol
CID 43770573
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-pyridin-4-ylethanamine
CID 60904183
4-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]butan-1-ol
CID 106840967
N',N'-diethyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,3-diamine
CID 43763148
N-ethyl-2-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]ethanesulfonamide
CID 103917729
2-N,2-N-dimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine
CID 54913424
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-thiomorpholin-4-ylethanamine
CID 103917506
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]hydroxylamine
CID 82685624
3-ethenoxy-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43771214
ethyl 4-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]butanoate
CID 64578919
3-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]but-2-en-1-amine
CID 114154687

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine?
The IUPAC name of N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine (CID 43754998) is N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine is CCCNC(c1cccs1)c1nccn1C.
What is the InChIKey of N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine?
The InChIKey is LXICNBAPFQRIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-3-6-13-11(10-5-4-9-16-10)12-14-7-8-15(12)2/h4-5,7-9,11,13H,3,6H2,1-2H3.
What are the key properties of N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine?
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine has a molecular weight of 235.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine is sourced from PubChem (CID 43754998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).