(2S)-N-methyl-1-(5-propan-2-yloxy-1,2-dihydropyridin-3-yl)pentan-2-amine

C14H26N2O — CID 143826661

IUPAC(2S)-N-methyl-1-(5-propan-2-yloxy-1,2-dihydropyridin-3-yl)pentan-2-amine
SMILESCCC[C@@H](CC1=CC(OC(C)C)=CNC1)NC
InChIInChI=1S/C14H26N2O/c1-5-6-13(15-4)7-12-8-14(10-16-9-12)17-11(2)3/h8,10-11,13,15-16H,5-7,9H2,1-4H3/t13-/m0/s1
InChIKeyQRVNGRXSMAWHLL-ZDUSSCGKSA-N
MW238.38 g/mol
LogP2.56
Rot. Bonds7

About (2S)-N-methyl-1-(5-propan-2-yloxy-1,2-dihydropyridin-3-yl)pentan-2-amine

(2S)-N-methyl-1-(5-propan-2-yloxy-1,2-dihydropyridin-3-yl)pentan-2-amine (PubChem CID 143826661) has the molecular formula C14H26N2O and a molecular weight of 238.38 g/mol. Its IUPAC name is (2S)-N-methyl-1-(5-propan-2-yloxy-1,2-dihydropyridin-3-yl)pentan-2-amine.

Molecular Properties

Compound Name(2S)-N-methyl-1-(5-propan-2-yloxy-1,2-dihydropyridin-3-yl)pentan-2-amine
PubChem CID143826661
Molecular FormulaC14H26N2O
Molecular Weight238.38 g/mol
Exact Mass238.20
IUPAC Name(2S)-N-methyl-1-(5-propan-2-yloxy-1,2-dihydropyridin-3-yl)pentan-2-amine
SMILESCCC[C@@H](CC1=CC(OC(C)C)=CNC1)NC
InChIInChI=1S/C14H26N2O/c1-5-6-13(15-4)7-12-8-14(10-16-9-12)17-11(2)3/h8,10-11,13,15-16H,5-7,9H2,1-4H3/t13-/m0/s1
InChIKeyQRVNGRXSMAWHLL-ZDUSSCGKSA-N
XLogP2.56
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-1-(5-propan-2-yloxy-1,2-dihydropyridin-3-yl)pentan-2-amine?
The IUPAC name of (2S)-N-methyl-1-(5-propan-2-yloxy-1,2-dihydropyridin-3-yl)pentan-2-amine (CID 143826661) is (2S)-N-methyl-1-(5-propan-2-yloxy-1,2-dihydropyridin-3-yl)pentan-2-amine.
What is the SMILES notation for (2S)-N-methyl-1-(5-propan-2-yloxy-1,2-dihydropyridin-3-yl)pentan-2-amine?
The canonical SMILES for (2S)-N-methyl-1-(5-propan-2-yloxy-1,2-dihydropyridin-3-yl)pentan-2-amine is CCC[C@@H](CC1=CC(OC(C)C)=CNC1)NC.
What is the InChIKey of (2S)-N-methyl-1-(5-propan-2-yloxy-1,2-dihydropyridin-3-yl)pentan-2-amine?
The InChIKey is QRVNGRXSMAWHLL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H26N2O/c1-5-6-13(15-4)7-12-8-14(10-16-9-12)17-11(2)3/h8,10-11,13,15-16H,5-7,9H2,1-4H3/t13-/m0/s1.
What are the key properties of (2S)-N-methyl-1-(5-propan-2-yloxy-1,2-dihydropyridin-3-yl)pentan-2-amine?
(2S)-N-methyl-1-(5-propan-2-yloxy-1,2-dihydropyridin-3-yl)pentan-2-amine has a molecular weight of 238.38 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-1-(5-propan-2-yloxy-1,2-dihydropyridin-3-yl)pentan-2-amine is sourced from PubChem (CID 143826661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).