N-ethyl-2-propyl-2,3-dihydrothiophen-3-amine

C9H17NS — CID 54101904

IUPACN-ethyl-2-propyl-2,3-dihydrothiophen-3-amine
SMILESCCCC1SC=CC1NCC
InChIInChI=1S/C9H17NS/c1-3-5-9-8(10-4-2)6-7-11-9/h6-10H,3-5H2,1-2H3
InChIKeyNBBNPZIOQXEVHX-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.39
Rot. Bonds4

About N-ethyl-2-propyl-2,3-dihydrothiophen-3-amine

N-ethyl-2-propyl-2,3-dihydrothiophen-3-amine (PubChem CID 54101904) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is N-ethyl-2-propyl-2,3-dihydrothiophen-3-amine.

Molecular Properties

Compound NameN-ethyl-2-propyl-2,3-dihydrothiophen-3-amine
PubChem CID54101904
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC NameN-ethyl-2-propyl-2,3-dihydrothiophen-3-amine
SMILESCCCC1SC=CC1NCC
InChIInChI=1S/C9H17NS/c1-3-5-9-8(10-4-2)6-7-11-9/h6-10H,3-5H2,1-2H3
InChIKeyNBBNPZIOQXEVHX-UHFFFAOYSA-N
XLogP2.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-2-(pent-4-en-1-yl)-1,3-thiazolidine
CID 3058785
2-(Hex-5-en-1-yl)-2-methyl-1,3-thiazolidine
CID 3058791
Thiazolidine, 2-(4,5-hexadienyl)-2-methyl-
CID 3058793
N,2-dipropyl-2,3-dihydrothiophen-3-amine
CID 54478450
N-ethyl-5-prop-2-enylthiolan-3-amine
CID 57017771
2-methyl-N,2-dipropyl-3H-thiophen-3-amine
CID 57027759
2-Propyl-2,3-dihydrothiophen-3-amine
CID 57119299
N-ethyl-2-methyl-2-propyl-3H-thiophen-3-amine
CID 57262193
N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-2-amine
CID 57284310
N-(3-methylsulfanylpropyl)pent-4-en-1-amine
CID 64315148
N-methyl-1-(4-methyl-2,3-dihydrothiophen-2-yl)ethanamine
CID 66792279
(3S)-N-methyl-4-methylidene-1-methylsulfanylhexan-3-amine
CID 88543586

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-propyl-2,3-dihydrothiophen-3-amine?
The IUPAC name of N-ethyl-2-propyl-2,3-dihydrothiophen-3-amine (CID 54101904) is N-ethyl-2-propyl-2,3-dihydrothiophen-3-amine.
What is the SMILES notation for N-ethyl-2-propyl-2,3-dihydrothiophen-3-amine?
The canonical SMILES for N-ethyl-2-propyl-2,3-dihydrothiophen-3-amine is CCCC1SC=CC1NCC.
What is the InChIKey of N-ethyl-2-propyl-2,3-dihydrothiophen-3-amine?
The InChIKey is NBBNPZIOQXEVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-3-5-9-8(10-4-2)6-7-11-9/h6-10H,3-5H2,1-2H3.
What are the key properties of N-ethyl-2-propyl-2,3-dihydrothiophen-3-amine?
N-ethyl-2-propyl-2,3-dihydrothiophen-3-amine has a molecular weight of 171.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-propyl-2,3-dihydrothiophen-3-amine is sourced from PubChem (CID 54101904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).