N-[(2,5-dimethylthiophen-3-yl)methyl]-2,2-dimethyloxan-4-amine

C14H23NOS — CID 115563621

IUPACN-[(2,5-dimethylthiophen-3-yl)methyl]-2,2-dimethyloxan-4-amine
SMILESCc1cc(CNC2CCOC(C)(C)C2)c(C)s1
InChIInChI=1S/C14H23NOS/c1-10-7-12(11(2)17-10)9-15-13-5-6-16-14(3,4)8-13/h7,13,15H,5-6,8-9H2,1-4H3
InChIKeyBEZOALXARKNRHO-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.41
Rot. Bonds3

About N-[(2,5-dimethylthiophen-3-yl)methyl]-2,2-dimethyloxan-4-amine

N-[(2,5-dimethylthiophen-3-yl)methyl]-2,2-dimethyloxan-4-amine (PubChem CID 115563621) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[(2,5-dimethylthiophen-3-yl)methyl]-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylthiophen-3-yl)methyl]-2,2-dimethyloxan-4-amine
PubChem CID115563621
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC NameN-[(2,5-dimethylthiophen-3-yl)methyl]-2,2-dimethyloxan-4-amine
SMILESCc1cc(CNC2CCOC(C)(C)C2)c(C)s1
InChIInChI=1S/C14H23NOS/c1-10-7-12(11(2)17-10)9-15-13-5-6-16-14(3,4)8-13/h7,13,15H,5-6,8-9H2,1-4H3
InChIKeyBEZOALXARKNRHO-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-2,2-dimethyloxan-4-amine
CID 115563698
N-[(2,5-dichlorophenyl)methyl]-2,2-dimethyloxan-4-amine
CID 113336602
4-bromo-2-[[(2,2-dimethyloxan-4-yl)amino]methyl]phenol
CID 103846797
N-[(3-chloro-5-fluorophenyl)methyl]-2,2-dimethyloxan-4-amine
CID 114453071
N-[(4-ethylphenyl)methyl]-2,2-dimethyloxan-4-amine
CID 115563697
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2,2-dimethyloxan-4-amine
CID 115563790
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2,2-dimethyloxan-4-amine
CID 115563595
N-[2-[[(2,2-dimethyloxan-4-yl)amino]methyl]phenyl]acetamide
CID 115563696
(4S)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 753865
N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 2863086
(4R)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 753866
5-[[(2,2-dimethyloxan-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 115563750

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylthiophen-3-yl)methyl]-2,2-dimethyloxan-4-amine?
The IUPAC name of N-[(2,5-dimethylthiophen-3-yl)methyl]-2,2-dimethyloxan-4-amine (CID 115563621) is N-[(2,5-dimethylthiophen-3-yl)methyl]-2,2-dimethyloxan-4-amine.
What is the SMILES notation for N-[(2,5-dimethylthiophen-3-yl)methyl]-2,2-dimethyloxan-4-amine?
The canonical SMILES for N-[(2,5-dimethylthiophen-3-yl)methyl]-2,2-dimethyloxan-4-amine is Cc1cc(CNC2CCOC(C)(C)C2)c(C)s1.
What is the InChIKey of N-[(2,5-dimethylthiophen-3-yl)methyl]-2,2-dimethyloxan-4-amine?
The InChIKey is BEZOALXARKNRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-10-7-12(11(2)17-10)9-15-13-5-6-16-14(3,4)8-13/h7,13,15H,5-6,8-9H2,1-4H3.
What are the key properties of N-[(2,5-dimethylthiophen-3-yl)methyl]-2,2-dimethyloxan-4-amine?
N-[(2,5-dimethylthiophen-3-yl)methyl]-2,2-dimethyloxan-4-amine has a molecular weight of 253.41 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylthiophen-3-yl)methyl]-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 115563621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).