N-[(1-ethylcyclopentyl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine

C17H25N3S — CID 103917656

IUPACN-[(1-ethylcyclopentyl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine
SMILESCCC1(CNC(c2cccs2)c2nccn2C)CCCC1
InChIInChI=1S/C17H25N3S/c1-3-17(8-4-5-9-17)13-19-15(14-7-6-12-21-14)16-18-10-11-20(16)2/h6-7,10-12,15,19H,3-5,8-9,13H2,1-2H3
InChIKeyVZZLITZDYWDKRL-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.13
Rot. Bonds6

About N-[(1-ethylcyclopentyl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine

N-[(1-ethylcyclopentyl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine (PubChem CID 103917656) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[(1-ethylcyclopentyl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(1-ethylcyclopentyl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine
PubChem CID103917656
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC NameN-[(1-ethylcyclopentyl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine
SMILESCCC1(CNC(c2cccs2)c2nccn2C)CCCC1
InChIInChI=1S/C17H25N3S/c1-3-17(8-4-5-9-17)13-19-15(14-7-6-12-21-14)16-18-10-11-20(16)2/h6-7,10-12,15,19H,3-5,8-9,13H2,1-2H3
InChIKeyVZZLITZDYWDKRL-UHFFFAOYSA-N
XLogP4.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43754998
N-(cyclobutylmethyl)-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine
CID 43775172
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
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine
CID 107386010
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
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
3-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]but-2-en-1-amine
CID 114154687
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-thiomorpholin-4-ylethanamine
CID 103917506
N',N'-diethyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,3-diamine
CID 43763148

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopentyl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[(1-ethylcyclopentyl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine (CID 103917656) is N-[(1-ethylcyclopentyl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[(1-ethylcyclopentyl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[(1-ethylcyclopentyl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine is CCC1(CNC(c2cccs2)c2nccn2C)CCCC1.
What is the InChIKey of N-[(1-ethylcyclopentyl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine?
The InChIKey is VZZLITZDYWDKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-3-17(8-4-5-9-17)13-19-15(14-7-6-12-21-14)16-18-10-11-20(16)2/h6-7,10-12,15,19H,3-5,8-9,13H2,1-2H3.
What are the key properties of N-[(1-ethylcyclopentyl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine?
N-[(1-ethylcyclopentyl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine has a molecular weight of 303.47 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopentyl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 103917656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).