N-[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]oxan-4-amine

C15H25NOS — CID 84587806

IUPACN-[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]oxan-4-amine
SMILESCc1cc(C(NC2CCOCC2)C(C)C)c(C)s1
InChIInChI=1S/C15H25NOS/c1-10(2)15(14-9-11(3)18-12(14)4)16-13-5-7-17-8-6-13/h9-10,13,15-16H,5-8H2,1-4H3
InChIKeyHAKQZINWJOSCRU-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.83
Rot. Bonds4

About N-[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]oxan-4-amine

N-[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]oxan-4-amine (PubChem CID 84587806) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]oxan-4-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]oxan-4-amine
PubChem CID84587806
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]oxan-4-amine
SMILESCc1cc(C(NC2CCOCC2)C(C)C)c(C)s1
InChIInChI=1S/C15H25NOS/c1-10(2)15(14-9-11(3)18-12(14)4)16-13-5-7-17-8-6-13/h9-10,13,15-16H,5-8H2,1-4H3
InChIKeyHAKQZINWJOSCRU-UHFFFAOYSA-N
XLogP3.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylthiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386041
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexanamine
CID 43096415
N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine
CID 97232289
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-oxothian-4-amine
CID 54981912
1-(2,5-dimethylthiophen-3-yl)-N-(1,3-dioxan-4-ylmethyl)ethanamine
CID 81102302
2-cyclopropyl-1-(2,5-dimethylthiophen-3-yl)-N-propylpropan-1-amine
CID 83154785
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730358
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 113258289
N-cyclopentyloxy-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 83228314
N-[(2R)-3-methylbutan-2-yl]oxan-4-amine
CID 93218328
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine
CID 43628723
(2R)-2-[[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]amino]propan-1-ol
CID 103898723

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]oxan-4-amine?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]oxan-4-amine (CID 84587806) is N-[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]oxan-4-amine.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]oxan-4-amine?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]oxan-4-amine is Cc1cc(C(NC2CCOCC2)C(C)C)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]oxan-4-amine?
The InChIKey is HAKQZINWJOSCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-10(2)15(14-9-11(3)18-12(14)4)16-13-5-7-17-8-6-13/h9-10,13,15-16H,5-8H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]oxan-4-amine?
N-[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]oxan-4-amine has a molecular weight of 267.44 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]oxan-4-amine is sourced from PubChem (CID 84587806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).