N-[(4-thiophen-2-yloxan-4-yl)methyl]propan-2-amine

C13H21NOS — CID 62594784

IUPACN-[(4-thiophen-2-yloxan-4-yl)methyl]propan-2-amine
SMILESCC(C)NCC1(c2cccs2)CCOCC1
InChIInChI=1S/C13H21NOS/c1-11(2)14-10-13(5-7-15-8-6-13)12-4-3-9-16-12/h3-4,9,11,14H,5-8,10H2,1-2H3
InChIKeyZORPRTUBLNIGSN-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.79
Rot. Bonds4

About N-[(4-thiophen-2-yloxan-4-yl)methyl]propan-2-amine

N-[(4-thiophen-2-yloxan-4-yl)methyl]propan-2-amine (PubChem CID 62594784) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-[(4-thiophen-2-yloxan-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-thiophen-2-yloxan-4-yl)methyl]propan-2-amine
PubChem CID62594784
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-[(4-thiophen-2-yloxan-4-yl)methyl]propan-2-amine
SMILESCC(C)NCC1(c2cccs2)CCOCC1
InChIInChI=1S/C13H21NOS/c1-11(2)14-10-13(5-7-15-8-6-13)12-4-3-9-16-12/h3-4,9,11,14H,5-8,10H2,1-2H3
InChIKeyZORPRTUBLNIGSN-UHFFFAOYSA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-thiophen-2-ylcycloheptyl)methyl]propan-2-amine
CID 55095998
N-[(3,3-dimethyl-1-thiophen-2-ylcyclobutyl)methyl]propan-2-amine
CID 64997430
N-[(3,3-diethyl-1-thiophen-2-ylcyclobutyl)methyl]propan-2-amine
CID 65001162
N-[[4-(2-thiophen-2-ylethyl)oxan-4-yl]methyl]propan-2-amine
CID 63774106
N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-carboxamide
CID 30943585
2-(4-thiophen-2-yloxan-4-yl)ethanamine
CID 83820999
N-[[4-(3,4-dimethylphenyl)oxan-4-yl]methyl]propan-2-amine
CID 55131240
N-[[4-(3,4-dichlorophenyl)oxan-4-yl]methyl]propan-2-amine
CID 62596994
N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62594249
2-oxo-N-[(4-thiophen-2-yloxan-4-yl)methyl]imidazolidine-1-carboxamide
CID 71806744
4-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
CID 30944280
4-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 30943798

Frequently Asked Questions

What is the IUPAC name of N-[(4-thiophen-2-yloxan-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(4-thiophen-2-yloxan-4-yl)methyl]propan-2-amine (CID 62594784) is N-[(4-thiophen-2-yloxan-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-thiophen-2-yloxan-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-thiophen-2-yloxan-4-yl)methyl]propan-2-amine is CC(C)NCC1(c2cccs2)CCOCC1.
What is the InChIKey of N-[(4-thiophen-2-yloxan-4-yl)methyl]propan-2-amine?
The InChIKey is ZORPRTUBLNIGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-11(2)14-10-13(5-7-15-8-6-13)12-4-3-9-16-12/h3-4,9,11,14H,5-8,10H2,1-2H3.
What are the key properties of N-[(4-thiophen-2-yloxan-4-yl)methyl]propan-2-amine?
N-[(4-thiophen-2-yloxan-4-yl)methyl]propan-2-amine has a molecular weight of 239.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-thiophen-2-yloxan-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 62594784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).