N-[[5-(hexoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine

C16H29NOS — CID 107558203

IUPACN-[[5-(hexoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine
SMILESCCCCCCOCc1ccc(CNCC(C)C)s1
InChIInChI=1S/C16H29NOS/c1-4-5-6-7-10-18-13-16-9-8-15(19-16)12-17-11-14(2)3/h8-9,14,17H,4-7,10-13H2,1-3H3
InChIKeyHBIDXMZQDTUFPH-UHFFFAOYSA-N
MW283.48 g/mol
LogP4.59
Rot. Bonds11

About N-[[5-(hexoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine

N-[[5-(hexoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 107558203) has the molecular formula C16H29NOS and a molecular weight of 283.48 g/mol. Its IUPAC name is N-[[5-(hexoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(hexoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID107558203
Molecular FormulaC16H29NOS
Molecular Weight283.48 g/mol
Exact Mass283.20
IUPAC NameN-[[5-(hexoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine
SMILESCCCCCCOCc1ccc(CNCC(C)C)s1
InChIInChI=1S/C16H29NOS/c1-4-5-6-7-10-18-13-16-9-8-15(19-16)12-17-11-14(2)3/h8-9,14,17H,4-7,10-13H2,1-3H3
InChIKeyHBIDXMZQDTUFPH-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 54.59
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-[[5-(octoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107558214
2-methyl-N-[[5-(octan-2-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558196
N-[[4-(hexoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 63492309
2-methyl-N-[[5-(pentoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62449718
2-methyl-N-[[5-(prop-2-enoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107557958
2-methyl-N-[[3-(pentoxymethyl)phenyl]methyl]propan-1-amine
CID 62451172
N-[[5-(3-methylbutoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558092
N-[[5-(cyclohexylmethoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107558833
2-bromo-5-(octoxymethyl)thiophene
CID 63457717
N-[[5-(propoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558267
2-methyl-N-[[5-(octoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62455149
N-[[4-(heptoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 63490736

Frequently Asked Questions

What is the IUPAC name of N-[[5-(hexoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(hexoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine (CID 107558203) is N-[[5-(hexoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(hexoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(hexoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine is CCCCCCOCc1ccc(CNCC(C)C)s1.
What is the InChIKey of N-[[5-(hexoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is HBIDXMZQDTUFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NOS/c1-4-5-6-7-10-18-13-16-9-8-15(19-16)12-17-11-14(2)3/h8-9,14,17H,4-7,10-13H2,1-3H3.
What are the key properties of N-[[5-(hexoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(hexoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 283.48 g/mol, XLogP of 4.59, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(hexoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107558203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).