N-[[5-[(2,3,5-trimethylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine

C17H30N2S — CID 107557570

IUPACN-[[5-[(2,3,5-trimethylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN2CC(C)CC(C)C2C)s1
InChIInChI=1S/C17H30N2S/c1-5-8-18-10-16-6-7-17(20-16)12-19-11-13(2)9-14(3)15(19)4/h6-7,13-15,18H,5,8-12H2,1-4H3
InChIKeyJLNNLDZTLPYAHG-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.11
Rot. Bonds6

About N-[[5-[(2,3,5-trimethylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine

N-[[5-[(2,3,5-trimethylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine (PubChem CID 107557570) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is N-[[5-[(2,3,5-trimethylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(2,3,5-trimethylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
PubChem CID107557570
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC NameN-[[5-[(2,3,5-trimethylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN2CC(C)CC(C)C2C)s1
InChIInChI=1S/C17H30N2S/c1-5-8-18-10-16-6-7-17(20-16)12-19-11-13(2)9-14(3)15(19)4/h6-7,13-15,18H,5,8-12H2,1-4H3
InChIKeyJLNNLDZTLPYAHG-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
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-[[3-methyl-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 114597009
N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107555665
N-[[5-[(4-tert-butylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107555450
N-ethyl-2-[2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]ethanamine
CID 114597126
N-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107555987
1-[5-[(3,5-dimethylpiperidin-1-yl)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107555653
N-[[5-[(4-propan-2-ylazepan-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107556991
N-[[5-[(3,3-dimethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107557194
N-[[5-(methoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558011
N-methyl-1-[6-[(2,3,5-trimethylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 106907232
N-[(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 24705836
2-methyl-N-[[5-[(2,3,5-trimethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 114597041

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2,3,5-trimethylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[(2,3,5-trimethylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine (CID 107557570) is N-[[5-[(2,3,5-trimethylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(2,3,5-trimethylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(2,3,5-trimethylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine is CCCNCc1ccc(CN2CC(C)CC(C)C2C)s1.
What is the InChIKey of N-[[5-[(2,3,5-trimethylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine?
The InChIKey is JLNNLDZTLPYAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-5-8-18-10-16-6-7-17(20-16)12-19-11-13(2)9-14(3)15(19)4/h6-7,13-15,18H,5,8-12H2,1-4H3.
What are the key properties of N-[[5-[(2,3,5-trimethylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine?
N-[[5-[(2,3,5-trimethylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine has a molecular weight of 294.51 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2,3,5-trimethylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 107557570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).