N-[[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopentyl]methyl]-2-methylpropan-2-amine

C17H29ClN2S — CID 63494590

IUPACN-[[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
SMILESCN(Cc1ccc(Cl)s1)CC1(CNC(C)(C)C)CCCC1
InChIInChI=1S/C17H29ClN2S/c1-16(2,3)19-12-17(9-5-6-10-17)13-20(4)11-14-7-8-15(18)21-14/h7-8,19H,5-6,9-13H2,1-4H3
InChIKeyFMARTCKOUMNEIT-UHFFFAOYSA-N
MW328.95 g/mol
LogP4.78
Rot. Bonds6

About N-[[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopentyl]methyl]-2-methylpropan-2-amine

N-[[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopentyl]methyl]-2-methylpropan-2-amine (PubChem CID 63494590) has the molecular formula C17H29ClN2S and a molecular weight of 328.95 g/mol. Its IUPAC name is N-[[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopentyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
PubChem CID63494590
Molecular FormulaC17H29ClN2S
Molecular Weight328.95 g/mol
Exact Mass328.17
IUPAC NameN-[[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
SMILESCN(Cc1ccc(Cl)s1)CC1(CNC(C)(C)C)CCCC1
InChIInChI=1S/C17H29ClN2S/c1-16(2,3)19-12-17(9-5-6-10-17)13-20(4)11-14-7-8-15(18)21-14/h7-8,19H,5-6,9-13H2,1-4H3
InChIKeyFMARTCKOUMNEIT-UHFFFAOYSA-N
XLogP4.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.95
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopentyl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclohexyl]methyl]methanamine
CID 62256779
N-[[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclohexyl]methyl]ethanamine
CID 63494041
2-[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopropyl]ethanamine
CID 65480533
N-[[1-[[benzyl(methyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 62262841
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 107556204
1-(5-chlorothiophen-2-yl)-N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methylmethanamine
CID 55165548
1-(5-chlorothiophen-2-yl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]methanamine
CID 104594891
2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 63740652
1-(5-bromothiophen-2-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine
CID 115246231
N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N-methylbutan-1-amine
CID 55051857
2-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl-methylamino]ethanol
CID 62257930
N'-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63699316

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopentyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopentyl]methyl]-2-methylpropan-2-amine (CID 63494590) is N-[[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopentyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopentyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopentyl]methyl]-2-methylpropan-2-amine is CN(Cc1ccc(Cl)s1)CC1(CNC(C)(C)C)CCCC1.
What is the InChIKey of N-[[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopentyl]methyl]-2-methylpropan-2-amine?
The InChIKey is FMARTCKOUMNEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29ClN2S/c1-16(2,3)19-12-17(9-5-6-10-17)13-20(4)11-14-7-8-15(18)21-14/h7-8,19H,5-6,9-13H2,1-4H3.
What are the key properties of N-[[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopentyl]methyl]-2-methylpropan-2-amine?
N-[[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopentyl]methyl]-2-methylpropan-2-amine has a molecular weight of 328.95 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopentyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63494590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).