(1S)-N-[2-[(4R)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine

C18H31NOS — CID 7707544

IUPAC(1S)-N-[2-[(4R)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine
SMILESCC(C)[C@]1(CCN[C@@H](C)c2cccs2)CCOC(C)(C)C1
InChIInChI=1S/C18H31NOS/c1-14(2)18(9-11-20-17(4,5)13-18)8-10-19-15(3)16-7-6-12-21-16/h6-7,12,14-15,19H,8-11,13H2,1-5H3/t15-,18+/m0/s1
InChIKeyUOPNJHCPFYAALQ-MAUKXSAKSA-N
MW309.52 g/mol
LogP5.02
Rot. Bonds6

About (1S)-N-[2-[(4R)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine

(1S)-N-[2-[(4R)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine (PubChem CID 7707544) has the molecular formula C18H31NOS and a molecular weight of 309.52 g/mol. Its IUPAC name is (1S)-N-[2-[(4R)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[2-[(4R)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine
PubChem CID7707544
Molecular FormulaC18H31NOS
Molecular Weight309.52 g/mol
Exact Mass309.21
IUPAC Name(1S)-N-[2-[(4R)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine
SMILESCC(C)[C@]1(CCN[C@@H](C)c2cccs2)CCOC(C)(C)C1
InChIInChI=1S/C18H31NOS/c1-14(2)18(9-11-20-17(4,5)13-18)8-10-19-15(3)16-7-6-12-21-16/h6-7,12,14-15,19H,8-11,13H2,1-5H3/t15-,18+/m0/s1
InChIKeyUOPNJHCPFYAALQ-MAUKXSAKSA-N
XLogP5.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.52
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-N-[2-[(4R)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine with MolForge

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Launch Full Analysis

Related Compounds

(1R)-N-[2-[(4R)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine
CID 7707548
N-[2-[(4S)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 7714420
N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]-1-thiophen-2-ylethanamine
CID 102746104
[(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]methyl-[(1R)-1-thiophen-2-ylethyl]azanium
CID 7473648
(1S)-1-(4-chlorophenyl)-N-[2-[(2S,4R)-2-ethyl-2-methyl-4-propan-2-yloxan-4-yl]ethyl]ethanamine
CID 7707404
2-[(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]ethyl-[(1S)-1-thiophen-2-ylethyl]azanium
CID 7083788
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185
N-[(1R)-1-thiophen-2-ylethyl]but-3-yn-1-amine
CID 81408577
4-[[(1R)-1-thiophen-2-ylethyl]amino]butanenitrile
CID 81407892
3,3-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81398667
3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81408503
4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine
CID 83156028

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[2-[(4R)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine?
The IUPAC name of (1S)-N-[2-[(4R)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine (CID 7707544) is (1S)-N-[2-[(4R)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1S)-N-[2-[(4R)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for (1S)-N-[2-[(4R)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine is CC(C)[C@]1(CCN[C@@H](C)c2cccs2)CCOC(C)(C)C1.
What is the InChIKey of (1S)-N-[2-[(4R)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine?
The InChIKey is UOPNJHCPFYAALQ-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H31NOS/c1-14(2)18(9-11-20-17(4,5)13-18)8-10-19-15(3)16-7-6-12-21-16/h6-7,12,14-15,19H,8-11,13H2,1-5H3/t15-,18+/m0/s1.
What are the key properties of (1S)-N-[2-[(4R)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine?
(1S)-N-[2-[(4R)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine has a molecular weight of 309.52 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[2-[(4R)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 7707544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).