N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]-1-thiophen-2-ylpropan-2-amine

C18H32N2S — CID 79489631

IUPACN-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]-1-thiophen-2-ylpropan-2-amine
SMILESCCCNCC1(CN(C)C(C)Cc2cccs2)CCCC1
InChIInChI=1S/C18H32N2S/c1-4-11-19-14-18(9-5-6-10-18)15-20(3)16(2)13-17-8-7-12-21-17/h7-8,12,16,19H,4-6,9-11,13-15H2,1-3H3
InChIKeyVKNFLUHRJDBSFJ-UHFFFAOYSA-N
MW308.53 g/mol
LogP4.17
Rot. Bonds9

About N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]-1-thiophen-2-ylpropan-2-amine

N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]-1-thiophen-2-ylpropan-2-amine (PubChem CID 79489631) has the molecular formula C18H32N2S and a molecular weight of 308.53 g/mol. Its IUPAC name is N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]-1-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]-1-thiophen-2-ylpropan-2-amine
PubChem CID79489631
Molecular FormulaC18H32N2S
Molecular Weight308.53 g/mol
Exact Mass308.23
IUPAC NameN-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]-1-thiophen-2-ylpropan-2-amine
SMILESCCCNCC1(CN(C)C(C)Cc2cccs2)CCCC1
InChIInChI=1S/C18H32N2S/c1-4-11-19-14-18(9-5-6-10-18)15-20(3)16(2)13-17-8-7-12-21-17/h7-8,12,16,19H,4-6,9-11,13-15H2,1-3H3
InChIKeyVKNFLUHRJDBSFJ-UHFFFAOYSA-N
XLogP4.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.53
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 62724982
N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
CID 79488254
N'-methyl-N-propyl-N'-(1-thiophen-2-ylpropan-2-yl)hexane-1,6-diamine
CID 79486315
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
CID 79486442
2-methyl-N-[[1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine
CID 63484371
4-fluoro-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline
CID 63493700
3-N-methyl-1-N-propyl-3-N-(1-thiophen-2-ylpropan-2-yl)butane-1,3-diamine
CID 79493690
N-[[3-(2-thiophen-2-ylethyl)oxan-3-yl]methyl]propan-1-amine
CID 63774465
N-butyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79493852
4-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]piperidin-4-ol
CID 79476515
N,3,3-trimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine
CID 63494958
2-methoxy-N-[[1-(thiophen-2-ylmethyl)cyclopentyl]methyl]ethanamine
CID 62725406

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]-1-thiophen-2-ylpropan-2-amine (CID 79489631) is N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]-1-thiophen-2-ylpropan-2-amine is CCCNCC1(CN(C)C(C)Cc2cccs2)CCCC1.
What is the InChIKey of N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]-1-thiophen-2-ylpropan-2-amine?
The InChIKey is VKNFLUHRJDBSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2S/c1-4-11-19-14-18(9-5-6-10-18)15-20(3)16(2)13-17-8-7-12-21-17/h7-8,12,16,19H,4-6,9-11,13-15H2,1-3H3.
What are the key properties of N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]-1-thiophen-2-ylpropan-2-amine?
N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]-1-thiophen-2-ylpropan-2-amine has a molecular weight of 308.53 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]-1-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 79489631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).