N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine

C15H21N3O2S — CID 107386010

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine
SMILESCn1ccnc1C(NCC1COC(C)(C)O1)c1cccs1
InChIInChI=1S/C15H21N3O2S/c1-15(2)19-10-11(20-15)9-17-13(12-5-4-8-21-12)14-16-6-7-18(14)3/h4-8,11,13,17H,9-10H2,1-3H3
InChIKeyJEXXPKJHPMUMFY-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.31
Rot. Bonds5

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine (PubChem CID 107386010) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine
PubChem CID107386010
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine
SMILESCn1ccnc1C(NCC1COC(C)(C)O1)c1cccs1
InChIInChI=1S/C15H21N3O2S/c1-15(2)19-10-11(20-15)9-17-13(12-5-4-8-21-12)14-16-6-7-18(14)3/h4-8,11,13,17H,9-10H2,1-3H3
InChIKeyJEXXPKJHPMUMFY-UHFFFAOYSA-N
XLogP2.31
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine with MolForge

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Related Compounds

N-(cyclobutylmethyl)-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine
CID 43775172
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43754998
N-[(1-ethylcyclopentyl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine
CID 103917656
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
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
2-N,2-N-dimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine
CID 54913424
1-(1-methylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 61349832
1-(1-methylimidazol-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1-thiophen-2-ylmethanamine
CID 106392338
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-thiomorpholin-4-ylethanamine
CID 103917506

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine (CID 107386010) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine is Cn1ccnc1C(NCC1COC(C)(C)O1)c1cccs1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine?
The InChIKey is JEXXPKJHPMUMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-15(2)19-10-11(20-15)9-17-13(12-5-4-8-21-12)14-16-6-7-18(14)3/h4-8,11,13,17H,9-10H2,1-3H3.
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine has a molecular weight of 307.42 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 107386010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).