3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propan-1-amine

C9H17NS — CID 170868150

IUPAC3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propan-1-amine
SMILESCC1=CC(CCCN)C(C)S1
InChIInChI=1S/C9H17NS/c1-7-6-9(4-3-5-10)8(2)11-7/h6,8-9H,3-5,10H2,1-2H3
InChIKeyUYMMNDZEXUKHDD-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.38
Rot. Bonds3

About 3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propan-1-amine

3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propan-1-amine (PubChem CID 170868150) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propan-1-amine
PubChem CID170868150
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propan-1-amine
SMILESCC1=CC(CCCN)C(C)S1
InChIInChI=1S/C9H17NS/c1-7-6-9(4-3-5-10)8(2)11-7/h6,8-9H,3-5,10H2,1-2H3
InChIKeyUYMMNDZEXUKHDD-UHFFFAOYSA-N
XLogP2.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2R)-1-methylsulfanylpropan-2-yl]hept-5-en-1-amine;1,1,1-trifluoropropane;uranium(2+)
CID 163971972
2-(2,3-Dihydrothiophen-2-yl)pent-4-en-1-amine
CID 23567364
[6-[(Z)-3-(iodomethyl)hept-4-en-2-yl]sulfanylcyclohex-2-en-1-yl]methanamine
CID 68186767
2-(2-propan-2-yl-3H-thiophen-2-yl)ethanamine
CID 68810770
2,6-Dimethyl-3-(5-methylthiolan-2-yl)cyclohex-3-en-1-amine
CID 71166149
(1R)-2,2-dimethyl-1-(5-methyl-2,3-dihydrothiophen-2-yl)propan-1-amine
CID 89073384
2-(1-Ethylsulfanylethenyl)-4-methylpentan-1-amine
CID 89339852
(3-Ethyl-5-methyl-2,3-dihydrothiophen-2-yl)methanamine
CID 89785613
3-(5-Butylsulfanylcyclohexa-1,5-dien-1-yl)butan-1-amine
CID 91333753
1-(3-Ethyl-2,6-dimethylhept-5-enyl)sulfanylethanamine
CID 118911042
[3-[Methyl(methylidene)-lambda4-sulfanyl]cyclopent-2-en-1-yl]methanamine
CID 123338138
5-(3-Ethyldecyl)-2,3-dihydrothiophen-2-amine
CID 123843003

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propan-1-amine?
The IUPAC name of 3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propan-1-amine (CID 170868150) is 3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propan-1-amine.
What is the SMILES notation for 3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propan-1-amine?
The canonical SMILES for 3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propan-1-amine is CC1=CC(CCCN)C(C)S1.
What is the InChIKey of 3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propan-1-amine?
The InChIKey is UYMMNDZEXUKHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-7-6-9(4-3-5-10)8(2)11-7/h6,8-9H,3-5,10H2,1-2H3.
What are the key properties of 3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propan-1-amine?
3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propan-1-amine has a molecular weight of 171.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propan-1-amine is sourced from PubChem (CID 170868150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).