N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-thiophen-3-ylethyl]propan-1-amine

C14H21NOS — CID 105179290

IUPACN-[1-(3,4-dihydro-2H-pyran-5-yl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)C1=COCCC1
InChIInChI=1S/C14H21NOS/c1-2-6-15-14(9-12-5-8-17-11-12)13-4-3-7-16-10-13/h5,8,10-11,14-15H,2-4,6-7,9H2,1H3
InChIKeyWGLPXUMEBUQNHK-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.35
Rot. Bonds6

About N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-thiophen-3-ylethyl]propan-1-amine

N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-thiophen-3-ylethyl]propan-1-amine (PubChem CID 105179290) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-thiophen-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-dihydro-2H-pyran-5-yl)-2-thiophen-3-ylethyl]propan-1-amine
PubChem CID105179290
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC NameN-[1-(3,4-dihydro-2H-pyran-5-yl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)C1=COCCC1
InChIInChI=1S/C14H21NOS/c1-2-6-15-14(9-12-5-8-17-11-12)13-4-3-7-16-10-13/h5,8,10-11,14-15H,2-4,6-7,9H2,1H3
InChIKeyWGLPXUMEBUQNHK-UHFFFAOYSA-N
XLogP3.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)ethyl]propan-1-amine
CID 116662001
N-[1-(furan-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61079126
N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 62199949
1-(3,4-dihydro-2H-pyran-5-yl)-N-propylbut-3-en-1-amine
CID 116660937
1-(3,4-dihydro-2H-pyran-5-yl)-N-propylnonan-1-amine
CID 105033094
1-(cyclohepten-1-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 106657196
N-[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61079304
N-[1-(3,5-difluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61079665
N-[1-(3-chlorothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 80645193
N-[1-(2-methylpyrazol-3-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105137661
N-[1-(1-methoxycyclopentyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 104611504
1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxy-N-propylpentan-1-amine
CID 105179221

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-thiophen-3-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-thiophen-3-ylethyl]propan-1-amine (CID 105179290) is N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-thiophen-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-thiophen-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-thiophen-3-ylethyl]propan-1-amine is CCCNC(Cc1ccsc1)C1=COCCC1.
What is the InChIKey of N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-thiophen-3-ylethyl]propan-1-amine?
The InChIKey is WGLPXUMEBUQNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-2-6-15-14(9-12-5-8-17-11-12)13-4-3-7-16-10-13/h5,8,10-11,14-15H,2-4,6-7,9H2,1H3.
What are the key properties of N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-thiophen-3-ylethyl]propan-1-amine?
N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-thiophen-3-ylethyl]propan-1-amine has a molecular weight of 251.39 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-thiophen-3-ylethyl]propan-1-amine is sourced from PubChem (CID 105179290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).