1-(oxan-2-yl)-N-propyl-5-thiophen-3-ylpentan-3-amine

C17H29NOS — CID 115857206

IUPAC1-(oxan-2-yl)-N-propyl-5-thiophen-3-ylpentan-3-amine
SMILESCCCNC(CCc1ccsc1)CCC1CCCCO1
InChIInChI=1S/C17H29NOS/c1-2-11-18-16(7-6-15-10-13-20-14-15)8-9-17-5-3-4-12-19-17/h10,13-14,16-18H,2-9,11-12H2,1H3
InChIKeyIYSFQECDIUFDBY-UHFFFAOYSA-N
MW295.49 g/mol
LogP4.40
Rot. Bonds9

About 1-(oxan-2-yl)-N-propyl-5-thiophen-3-ylpentan-3-amine

1-(oxan-2-yl)-N-propyl-5-thiophen-3-ylpentan-3-amine (PubChem CID 115857206) has the molecular formula C17H29NOS and a molecular weight of 295.49 g/mol. Its IUPAC name is 1-(oxan-2-yl)-N-propyl-5-thiophen-3-ylpentan-3-amine.

Molecular Properties

Compound Name1-(oxan-2-yl)-N-propyl-5-thiophen-3-ylpentan-3-amine
PubChem CID115857206
Molecular FormulaC17H29NOS
Molecular Weight295.49 g/mol
Exact Mass295.20
IUPAC Name1-(oxan-2-yl)-N-propyl-5-thiophen-3-ylpentan-3-amine
SMILESCCCNC(CCc1ccsc1)CCC1CCCCO1
InChIInChI=1S/C17H29NOS/c1-2-11-18-16(7-6-15-10-13-20-14-15)8-9-17-5-3-4-12-19-17/h10,13-14,16-18H,2-9,11-12H2,1H3
InChIKeyIYSFQECDIUFDBY-UHFFFAOYSA-N
XLogP4.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.49
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(oxan-2-yl)-5-thiophen-3-ylpentan-3-amine
CID 115856805
1-cyclopentyl-N-propyl-5-thiophen-3-ylpentan-3-amine
CID 115856935
3-(oxan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 104988530
1-(furan-3-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine
CID 105030163
3-(oxolan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 65166768
N-propyl-1-thiophen-3-ylheptan-3-amine
CID 79411760
1-(3-methylphenyl)-4-(oxan-2-yl)-N-propylbutan-2-amine
CID 63951958
4-(oxan-2-yl)-N-propyl-1-pyridin-3-ylbutan-2-amine
CID 105034731
6-methylsulfonyl-1-(oxan-2-yl)-N-propylhexan-3-amine
CID 115820960
N-(oxan-2-ylmethyl)-2-thiophen-3-ylethanamine
CID 60976116
1-(oxolan-2-yl)-N-propyloctan-3-amine
CID 115837005
1-methylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164508

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-N-propyl-5-thiophen-3-ylpentan-3-amine?
The IUPAC name of 1-(oxan-2-yl)-N-propyl-5-thiophen-3-ylpentan-3-amine (CID 115857206) is 1-(oxan-2-yl)-N-propyl-5-thiophen-3-ylpentan-3-amine.
What is the SMILES notation for 1-(oxan-2-yl)-N-propyl-5-thiophen-3-ylpentan-3-amine?
The canonical SMILES for 1-(oxan-2-yl)-N-propyl-5-thiophen-3-ylpentan-3-amine is CCCNC(CCc1ccsc1)CCC1CCCCO1.
What is the InChIKey of 1-(oxan-2-yl)-N-propyl-5-thiophen-3-ylpentan-3-amine?
The InChIKey is IYSFQECDIUFDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NOS/c1-2-11-18-16(7-6-15-10-13-20-14-15)8-9-17-5-3-4-12-19-17/h10,13-14,16-18H,2-9,11-12H2,1H3.
What are the key properties of 1-(oxan-2-yl)-N-propyl-5-thiophen-3-ylpentan-3-amine?
1-(oxan-2-yl)-N-propyl-5-thiophen-3-ylpentan-3-amine has a molecular weight of 295.49 g/mol, XLogP of 4.40, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-N-propyl-5-thiophen-3-ylpentan-3-amine is sourced from PubChem (CID 115857206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).