2-N,2-N,2-trimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine

C15H24N4S — CID 43767761

IUPAC2-N,2-N,2-trimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine
SMILESCN(C)C(C)(C)CNC(c1cccs1)c1nccn1C
InChIInChI=1S/C15H24N4S/c1-15(2,18(3)4)11-17-13(12-7-6-10-20-12)14-16-8-9-19(14)5/h6-10,13,17H,11H2,1-5H3
InChIKeyPFCQVHAUJJVAOM-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.50
Rot. Bonds6

About 2-N,2-N,2-trimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine

2-N,2-N,2-trimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine (PubChem CID 43767761) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-N,2-N,2-trimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-trimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine
PubChem CID43767761
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name2-N,2-N,2-trimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine
SMILESCN(C)C(C)(C)CNC(c1cccs1)c1nccn1C
InChIInChI=1S/C15H24N4S/c1-15(2,18(3)4)11-17-13(12-7-6-10-20-12)14-16-8-9-19(14)5/h6-10,13,17H,11H2,1-5H3
InChIKeyPFCQVHAUJJVAOM-UHFFFAOYSA-N
XLogP2.50
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-N,2-N,2-trimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine with MolForge

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Related Compounds

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]propan-1-amine
CID 43754998
3-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]propan-1-ol
CID 43770573
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]hydroxylamine
CID 82685624
3-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]but-2-en-1-amine
CID 114154687
4-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]butan-1-ol
CID 106840967
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-pyridin-4-ylethanamine
CID 60904183
1-(1-methylimidazol-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1-thiophen-2-ylmethanamine
CID 106392338
N',N'-diethyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,3-diamine
CID 43763148
N'-(2-methoxyethyl)-N'-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]ethane-1,2-diamine
CID 62844478
N-(cyclobutylmethyl)-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine
CID 43775172
2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-3-methylsulfanylpropan-1-amine
CID 63981936

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-trimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-trimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine (CID 43767761) is 2-N,2-N,2-trimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-trimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-trimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine is CN(C)C(C)(C)CNC(c1cccs1)c1nccn1C.
What is the InChIKey of 2-N,2-N,2-trimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine?
The InChIKey is PFCQVHAUJJVAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-15(2,18(3)4)11-17-13(12-7-6-10-20-12)14-16-8-9-19(14)5/h6-10,13,17H,11H2,1-5H3.
What are the key properties of 2-N,2-N,2-trimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine?
2-N,2-N,2-trimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine has a molecular weight of 292.45 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-trimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine is sourced from PubChem (CID 43767761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).