N-[(5-tert-butylthiophen-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine

C17H30N2S — CID 115741995

IUPACN-[(5-tert-butylthiophen-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
SMILESCN1CCC(CCNCc2ccc(C(C)(C)C)s2)CC1
InChIInChI=1S/C17H30N2S/c1-17(2,3)16-6-5-15(20-16)13-18-10-7-14-8-11-19(4)12-9-14/h5-6,14,18H,7-13H2,1-4H3
InChIKeyKXNBNENXNCBOHL-UHFFFAOYSA-N
MW294.51 g/mol
LogP3.87
Rot. Bonds5

About N-[(5-tert-butylthiophen-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine

N-[(5-tert-butylthiophen-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine (PubChem CID 115741995) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is N-[(5-tert-butylthiophen-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-tert-butylthiophen-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
PubChem CID115741995
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC NameN-[(5-tert-butylthiophen-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
SMILESCN1CCC(CCNCc2ccc(C(C)(C)C)s2)CC1
InChIInChI=1S/C17H30N2S/c1-17(2,3)16-6-5-15(20-16)13-18-10-7-14-8-11-19(4)12-9-14/h5-6,14,18H,7-13H2,1-4H3
InChIKeyKXNBNENXNCBOHL-UHFFFAOYSA-N
XLogP3.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 53.87
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-[(4-tert-butylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615117
N-[(4-ethylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615095
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115697446
3-[(5-tert-butylthiophen-2-yl)methylamino]-N-cyclopropylpropanamide
CID 81498912
N-[(5-tert-butylthiophen-2-yl)methyl]-2-pyrazol-1-ylethanamine
CID 81497600
N-[(5-tert-butylthiophen-2-yl)methyl]-2-methylsulfinylethanamine
CID 115742089
N-[(5-tert-butylthiophen-2-yl)methyl]-2-propan-2-ylsulfanylethanamine
CID 123291785
N-[[4-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115653390
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 107914913
2-(1-methylpiperidin-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 115614958
N-[(5-tert-butylthiophen-2-yl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 81498673
2-bromo-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]phenol
CID 114515226

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butylthiophen-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine?
The IUPAC name of N-[(5-tert-butylthiophen-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine (CID 115741995) is N-[(5-tert-butylthiophen-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine.
What is the SMILES notation for N-[(5-tert-butylthiophen-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine?
The canonical SMILES for N-[(5-tert-butylthiophen-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine is CN1CCC(CCNCc2ccc(C(C)(C)C)s2)CC1.
What is the InChIKey of N-[(5-tert-butylthiophen-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine?
The InChIKey is KXNBNENXNCBOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-17(2,3)16-6-5-15(20-16)13-18-10-7-14-8-11-19(4)12-9-14/h5-6,14,18H,7-13H2,1-4H3.
What are the key properties of N-[(5-tert-butylthiophen-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine?
N-[(5-tert-butylthiophen-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine has a molecular weight of 294.51 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butylthiophen-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 115741995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).