1-(2-methylpropyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidin-4-amine

C17H30N2S — CID 103784638

IUPAC1-(2-methylpropyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidin-4-amine
SMILESCc1ccc(CC(C)NC2CCN(CC(C)C)CC2)s1
InChIInChI=1S/C17H30N2S/c1-13(2)12-19-9-7-16(8-10-19)18-14(3)11-17-6-5-15(4)20-17/h5-6,13-14,16,18H,7-12H2,1-4H3
InChIKeyYLNOIHRYDPUWCT-UHFFFAOYSA-N
MW294.51 g/mol
LogP3.70
Rot. Bonds6

About 1-(2-methylpropyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidin-4-amine

1-(2-methylpropyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidin-4-amine (PubChem CID 103784638) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidin-4-amine
PubChem CID103784638
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC Name1-(2-methylpropyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidin-4-amine
SMILESCc1ccc(CC(C)NC2CCN(CC(C)C)CC2)s1
InChIInChI=1S/C17H30N2S/c1-13(2)12-19-9-7-16(8-10-19)18-14(3)11-17-6-5-15(4)20-17/h5-6,13-14,16,18H,7-12H2,1-4H3
InChIKeyYLNOIHRYDPUWCT-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclopropanamine
CID 103439266
1-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]azepan-4-amine
CID 65078689
N-[1-(5-methylthiophen-2-yl)propan-2-yl]-1-propylazepan-4-amine
CID 65078736
4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexane-1,4-diamine
CID 79741971
1-(2-methylpropyl)-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine
CID 103777050
3,4-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexan-1-amine
CID 64745439
N-[1-(5-methylthiophen-2-yl)propan-2-yl]-4-propylcycloheptan-1-amine
CID 65091722
1-cyclopropyl-5-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrrolidin-3-amine
CID 115722163
N-[1-(5-bromothiophen-2-yl)propan-2-yl]cyclopropanamine
CID 82484308
1-(2-methylpropyl)-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 103775855
2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclopentan-1-amine
CID 79856875
(2S)-2-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2-phenylethanol
CID 103783988

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidin-4-amine?
The IUPAC name of 1-(2-methylpropyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidin-4-amine (CID 103784638) is 1-(2-methylpropyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-(2-methylpropyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidin-4-amine?
The canonical SMILES for 1-(2-methylpropyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidin-4-amine is Cc1ccc(CC(C)NC2CCN(CC(C)C)CC2)s1.
What is the InChIKey of 1-(2-methylpropyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidin-4-amine?
The InChIKey is YLNOIHRYDPUWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-13(2)12-19-9-7-16(8-10-19)18-14(3)11-17-6-5-15(4)20-17/h5-6,13-14,16,18H,7-12H2,1-4H3.
What are the key properties of 1-(2-methylpropyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidin-4-amine?
1-(2-methylpropyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidin-4-amine has a molecular weight of 294.51 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidin-4-amine is sourced from PubChem (CID 103784638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).