N-[(2-methyloxolan-3-yl)-thiophen-2-ylmethyl]propan-1-amine

C13H21NOS — CID 79759544

IUPACN-[(2-methyloxolan-3-yl)-thiophen-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccs1)C1CCOC1C
InChIInChI=1S/C13H21NOS/c1-3-7-14-13(12-5-4-9-16-12)11-6-8-15-10(11)2/h4-5,9-11,13-14H,3,6-8H2,1-2H3
InChIKeyMTTQVUGJNDKOFC-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.21
Rot. Bonds5

About N-[(2-methyloxolan-3-yl)-thiophen-2-ylmethyl]propan-1-amine

N-[(2-methyloxolan-3-yl)-thiophen-2-ylmethyl]propan-1-amine (PubChem CID 79759544) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-[(2-methyloxolan-3-yl)-thiophen-2-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methyloxolan-3-yl)-thiophen-2-ylmethyl]propan-1-amine
PubChem CID79759544
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-[(2-methyloxolan-3-yl)-thiophen-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccs1)C1CCOC1C
InChIInChI=1S/C13H21NOS/c1-3-7-14-13(12-5-4-9-16-12)11-6-8-15-10(11)2/h4-5,9-11,13-14H,3,6-8H2,1-2H3
InChIKeyMTTQVUGJNDKOFC-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-methyloxolan-3-yl)-1-thiophen-2-ylmethanamine
CID 79758920
N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
CID 43495964
N-[(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 115851413
N-[(2-methyloxolan-3-yl)-pyridin-3-ylmethyl]propan-1-amine
CID 115799745
N-[(2-methyloxolan-3-yl)-[4-(2-methylpropyl)phenyl]methyl]propan-1-amine
CID 79755119
N-[(4-ethylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine
CID 64776035
N-[(1-methylimidazol-2-yl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 115860068
N-[(2-fluoro-5-methylphenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 115852879
N-[(4-tert-butylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine
CID 63501793
N-[(4-methoxy-3-methylphenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 79759239
N-[(4-bromo-2,5-dimethylphenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 79758101
N-[(4-bromo-3-chloro-2-fluorophenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 106764501

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyloxolan-3-yl)-thiophen-2-ylmethyl]propan-1-amine?
The IUPAC name of N-[(2-methyloxolan-3-yl)-thiophen-2-ylmethyl]propan-1-amine (CID 79759544) is N-[(2-methyloxolan-3-yl)-thiophen-2-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(2-methyloxolan-3-yl)-thiophen-2-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(2-methyloxolan-3-yl)-thiophen-2-ylmethyl]propan-1-amine is CCCNC(c1cccs1)C1CCOC1C.
What is the InChIKey of N-[(2-methyloxolan-3-yl)-thiophen-2-ylmethyl]propan-1-amine?
The InChIKey is MTTQVUGJNDKOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-3-7-14-13(12-5-4-9-16-12)11-6-8-15-10(11)2/h4-5,9-11,13-14H,3,6-8H2,1-2H3.
What are the key properties of N-[(2-methyloxolan-3-yl)-thiophen-2-ylmethyl]propan-1-amine?
N-[(2-methyloxolan-3-yl)-thiophen-2-ylmethyl]propan-1-amine has a molecular weight of 239.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyloxolan-3-yl)-thiophen-2-ylmethyl]propan-1-amine is sourced from PubChem (CID 79759544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).