(3R)-1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoline

C13H19N — CID 140914028

IUPAC(3R)-1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoline
SMILESCC(C)[C@H]1Cc2ccccc2N(C)C1
InChIInChI=1S/C13H19N/c1-10(2)12-8-11-6-4-5-7-13(11)14(3)9-12/h4-7,10,12H,8-9H2,1-3H3/t12-/m0/s1
InChIKeyBMNNOPWOJIGMIY-LBPRGKRZSA-N
MW189.30 g/mol
LogP2.95
Rot. Bonds1

About (3R)-1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoline

(3R)-1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoline (PubChem CID 140914028) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (3R)-1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name(3R)-1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoline
PubChem CID140914028
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(3R)-1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoline
SMILESCC(C)[C@H]1Cc2ccccc2N(C)C1
InChIInChI=1S/C13H19N/c1-10(2)12-8-11-6-4-5-7-13(11)14(3)9-12/h4-7,10,12H,8-9H2,1-3H3/t12-/m0/s1
InChIKeyBMNNOPWOJIGMIY-LBPRGKRZSA-N
XLogP2.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoline?
The IUPAC name of (3R)-1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoline (CID 140914028) is (3R)-1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for (3R)-1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoline?
The canonical SMILES for (3R)-1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoline is CC(C)[C@H]1Cc2ccccc2N(C)C1.
What is the InChIKey of (3R)-1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoline?
The InChIKey is BMNNOPWOJIGMIY-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19N/c1-10(2)12-8-11-6-4-5-7-13(11)14(3)9-12/h4-7,10,12H,8-9H2,1-3H3/t12-/m0/s1.
What are the key properties of (3R)-1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoline?
(3R)-1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoline has a molecular weight of 189.30 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 140914028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).