N,2-dipropyl-2,3-dihydrothiophen-3-amine

C10H19NS — CID 54478450

IUPACN,2-dipropyl-2,3-dihydrothiophen-3-amine
SMILESCCCNC1C=CSC1CCC
InChIInChI=1S/C10H19NS/c1-3-5-10-9(6-8-12-10)11-7-4-2/h6,8-11H,3-5,7H2,1-2H3
InChIKeyXNGSLOBPSKNOCN-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.78
Rot. Bonds5

About N,2-dipropyl-2,3-dihydrothiophen-3-amine

N,2-dipropyl-2,3-dihydrothiophen-3-amine (PubChem CID 54478450) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is N,2-dipropyl-2,3-dihydrothiophen-3-amine.

Molecular Properties

Compound NameN,2-dipropyl-2,3-dihydrothiophen-3-amine
PubChem CID54478450
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC NameN,2-dipropyl-2,3-dihydrothiophen-3-amine
SMILESCCCNC1C=CSC1CCC
InChIInChI=1S/C10H19NS/c1-3-5-10-9(6-8-12-10)11-7-4-2/h6,8-11H,3-5,7H2,1-2H3
InChIKeyXNGSLOBPSKNOCN-UHFFFAOYSA-N
XLogP2.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.78
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-ethyl-2-propyl-2,3-dihydrothiophen-3-amine
CID 54101904
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,2-dipropyl-2,3-dihydrothiophen-3-amine?
The IUPAC name of N,2-dipropyl-2,3-dihydrothiophen-3-amine (CID 54478450) is N,2-dipropyl-2,3-dihydrothiophen-3-amine.
What is the SMILES notation for N,2-dipropyl-2,3-dihydrothiophen-3-amine?
The canonical SMILES for N,2-dipropyl-2,3-dihydrothiophen-3-amine is CCCNC1C=CSC1CCC.
What is the InChIKey of N,2-dipropyl-2,3-dihydrothiophen-3-amine?
The InChIKey is XNGSLOBPSKNOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-3-5-10-9(6-8-12-10)11-7-4-2/h6,8-11H,3-5,7H2,1-2H3.
What are the key properties of N,2-dipropyl-2,3-dihydrothiophen-3-amine?
N,2-dipropyl-2,3-dihydrothiophen-3-amine has a molecular weight of 185.34 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dipropyl-2,3-dihydrothiophen-3-amine is sourced from PubChem (CID 54478450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).