1-(oxan-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine

C17H29NOS — CID 105138604

IUPAC1-(oxan-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine
SMILESCCCNC(CCCc1cccs1)CC1CCOCC1
InChIInChI=1S/C17H29NOS/c1-2-10-18-16(14-15-8-11-19-12-9-15)5-3-6-17-7-4-13-20-17/h4,7,13,15-16,18H,2-3,5-6,8-12,14H2,1H3
InChIKeySKOGLGROGQDRML-UHFFFAOYSA-N
MW295.49 g/mol
LogP4.26
Rot. Bonds9

About 1-(oxan-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine

1-(oxan-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine (PubChem CID 105138604) has the molecular formula C17H29NOS and a molecular weight of 295.49 g/mol. Its IUPAC name is 1-(oxan-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine.

Molecular Properties

Compound Name1-(oxan-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine
PubChem CID105138604
Molecular FormulaC17H29NOS
Molecular Weight295.49 g/mol
Exact Mass295.20
IUPAC Name1-(oxan-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine
SMILESCCCNC(CCCc1cccs1)CC1CCOCC1
InChIInChI=1S/C17H29NOS/c1-2-10-18-16(14-15-8-11-19-12-9-15)5-3-6-17-7-4-13-20-17/h4,7,13,15-16,18H,2-3,5-6,8-12,14H2,1H3
InChIKeySKOGLGROGQDRML-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(oxan-4-yl)-5-thiophen-2-ylpentan-2-amine
CID 105138838
1-cyclopentyl-N-ethyl-5-thiophen-2-ylpentan-2-amine
CID 105139096
1-(2-bicyclo[2.2.1]heptanyl)-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 105167824
1-(oxan-4-yl)-4-phenyl-N-propylbutan-2-amine
CID 62600838
N-propyl-7-thiophen-2-ylhept-1-en-4-amine
CID 105107893
1-methoxy-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 63775708
6-methyl-N-propyl-1-thiophen-2-ylnonan-4-amine
CID 105137843
N-propyl-1-thiophen-2-yldecan-3-amine
CID 115860884
1-(oxan-4-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine
CID 105138737
1-(oxan-4-yl)-4-thiophen-2-ylbutan-1-amine
CID 105147200
1-cyclobutyl-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 103168700
1-(1,4-dimethylpiperazin-2-yl)-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 115415653

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine?
The IUPAC name of 1-(oxan-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine (CID 105138604) is 1-(oxan-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine.
What is the SMILES notation for 1-(oxan-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine?
The canonical SMILES for 1-(oxan-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine is CCCNC(CCCc1cccs1)CC1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine?
The InChIKey is SKOGLGROGQDRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NOS/c1-2-10-18-16(14-15-8-11-19-12-9-15)5-3-6-17-7-4-13-20-17/h4,7,13,15-16,18H,2-3,5-6,8-12,14H2,1H3.
What are the key properties of 1-(oxan-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine?
1-(oxan-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine has a molecular weight of 295.49 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine is sourced from PubChem (CID 105138604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).