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

C10H19NS — CID 89073384

IUPAC(1R)-2,2-dimethyl-1-(5-methyl-2,3-dihydrothiophen-2-yl)propan-1-amine
SMILESCC1=CCC([C@H](N)C(C)(C)C)S1
InChIInChI=1S/C10H19NS/c1-7-5-6-8(12-7)9(11)10(2,3)4/h5,8-9H,6,11H2,1-4H3/t8?,9-/m0/s1
InChIKeySLCJTPULXPVCNM-GKAPJAKFSA-N
MW185.34 g/mol
LogP2.77
Rot. Bonds1

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

(1R)-2,2-dimethyl-1-(5-methyl-2,3-dihydrothiophen-2-yl)propan-1-amine (PubChem CID 89073384) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is (1R)-2,2-dimethyl-1-(5-methyl-2,3-dihydrothiophen-2-yl)propan-1-amine.

Molecular Properties

Compound Name(1R)-2,2-dimethyl-1-(5-methyl-2,3-dihydrothiophen-2-yl)propan-1-amine
PubChem CID89073384
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name(1R)-2,2-dimethyl-1-(5-methyl-2,3-dihydrothiophen-2-yl)propan-1-amine
SMILESCC1=CCC([C@H](N)C(C)(C)C)S1
InChIInChI=1S/C10H19NS/c1-7-5-6-8(12-7)9(11)10(2,3)4/h5,8-9H,6,11H2,1-4H3/t8?,9-/m0/s1
InChIKeySLCJTPULXPVCNM-GKAPJAKFSA-N
XLogP2.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dimethyl-1-(5-methyl-2,3-dihydrothiophen-2-yl)propan-1-amine?
The IUPAC name of (1R)-2,2-dimethyl-1-(5-methyl-2,3-dihydrothiophen-2-yl)propan-1-amine (CID 89073384) is (1R)-2,2-dimethyl-1-(5-methyl-2,3-dihydrothiophen-2-yl)propan-1-amine.
What is the SMILES notation for (1R)-2,2-dimethyl-1-(5-methyl-2,3-dihydrothiophen-2-yl)propan-1-amine?
The canonical SMILES for (1R)-2,2-dimethyl-1-(5-methyl-2,3-dihydrothiophen-2-yl)propan-1-amine is CC1=CCC([C@H](N)C(C)(C)C)S1.
What is the InChIKey of (1R)-2,2-dimethyl-1-(5-methyl-2,3-dihydrothiophen-2-yl)propan-1-amine?
The InChIKey is SLCJTPULXPVCNM-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H19NS/c1-7-5-6-8(12-7)9(11)10(2,3)4/h5,8-9H,6,11H2,1-4H3/t8?,9-/m0/s1.
What are the key properties of (1R)-2,2-dimethyl-1-(5-methyl-2,3-dihydrothiophen-2-yl)propan-1-amine?
(1R)-2,2-dimethyl-1-(5-methyl-2,3-dihydrothiophen-2-yl)propan-1-amine has a molecular weight of 185.34 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dimethyl-1-(5-methyl-2,3-dihydrothiophen-2-yl)propan-1-amine is sourced from PubChem (CID 89073384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).