2,2-dimethyl-N-[(1S)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-(oxan-4-yl)propan-1-amine

C16H28N2OS — CID 97103233

IUPAC2,2-dimethyl-N-[(1S)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-(oxan-4-yl)propan-1-amine
SMILESCc1ncc([C@H](C)NCC(C)(C)CC2CCOCC2)s1
InChIInChI=1S/C16H28N2OS/c1-12(15-10-17-13(2)20-15)18-11-16(3,4)9-14-5-7-19-8-6-14/h10,12,14,18H,5-9,11H2,1-4H3/t12-/m0/s1
InChIKeyRTWSSSQPGQDVQC-LBPRGKRZSA-N
MW296.48 g/mol
LogP3.95
Rot. Bonds6

About 2,2-dimethyl-N-[(1S)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-(oxan-4-yl)propan-1-amine

2,2-dimethyl-N-[(1S)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-(oxan-4-yl)propan-1-amine (PubChem CID 97103233) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(1S)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-(oxan-4-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(1S)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-(oxan-4-yl)propan-1-amine
PubChem CID97103233
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name2,2-dimethyl-N-[(1S)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-(oxan-4-yl)propan-1-amine
SMILESCc1ncc([C@H](C)NCC(C)(C)CC2CCOCC2)s1
InChIInChI=1S/C16H28N2OS/c1-12(15-10-17-13(2)20-15)18-11-16(3,4)9-14-5-7-19-8-6-14/h10,12,14,18H,5-9,11H2,1-4H3/t12-/m0/s1
InChIKeyRTWSSSQPGQDVQC-LBPRGKRZSA-N
XLogP3.95
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-N-[(1S)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-(oxan-4-yl)propan-1-amine with MolForge

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Related Compounds

N-(cyclopentylmethyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115777843
2-methyl-2-methylsulfanyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115777972
N-[(2-methylcyclopropyl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115777850
N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 133472588
N-[(2-methyloxolan-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115777981
N',N'-diethyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine
CID 115777798
4-ethoxy-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine
CID 115777834
2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol
CID 115777969
N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 75471357
N-methyl-5-[1-(methylamino)ethyl]-N-(oxan-4-yl)-1,3-thiazol-2-amine
CID 62752148
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115891764
N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pent-4-en-2-amine
CID 115890511

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(1S)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-(oxan-4-yl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[(1S)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-(oxan-4-yl)propan-1-amine (CID 97103233) is 2,2-dimethyl-N-[(1S)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-(oxan-4-yl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(1S)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-(oxan-4-yl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[(1S)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-(oxan-4-yl)propan-1-amine is Cc1ncc([C@H](C)NCC(C)(C)CC2CCOCC2)s1.
What is the InChIKey of 2,2-dimethyl-N-[(1S)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-(oxan-4-yl)propan-1-amine?
The InChIKey is RTWSSSQPGQDVQC-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-12(15-10-17-13(2)20-15)18-11-16(3,4)9-14-5-7-19-8-6-14/h10,12,14,18H,5-9,11H2,1-4H3/t12-/m0/s1.
What are the key properties of 2,2-dimethyl-N-[(1S)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-(oxan-4-yl)propan-1-amine?
2,2-dimethyl-N-[(1S)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-(oxan-4-yl)propan-1-amine has a molecular weight of 296.48 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(1S)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-(oxan-4-yl)propan-1-amine is sourced from PubChem (CID 97103233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).