(5S)-5-(3,4-dihydropyridin-2-yl)-5-methylheptan-2-amine

C13H24N2 — CID 71013887

IUPAC(5S)-5-(3,4-dihydropyridin-2-yl)-5-methylheptan-2-amine
SMILESCC[C@@](C)(CCC(C)N)C1=NC=CCC1
InChIInChI=1S/C13H24N2/c1-4-13(3,9-8-11(2)14)12-7-5-6-10-15-12/h6,10-11H,4-5,7-9,14H2,1-3H3/t11?,13-/m0/s1
InChIKeyUEZIWRABIXZROA-YUZLPWPTSA-N
MW208.35 g/mol
LogP3.28
Rot. Bonds5

About (5S)-5-(3,4-dihydropyridin-2-yl)-5-methylheptan-2-amine

(5S)-5-(3,4-dihydropyridin-2-yl)-5-methylheptan-2-amine (PubChem CID 71013887) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (5S)-5-(3,4-dihydropyridin-2-yl)-5-methylheptan-2-amine.

Molecular Properties

Compound Name(5S)-5-(3,4-dihydropyridin-2-yl)-5-methylheptan-2-amine
PubChem CID71013887
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(5S)-5-(3,4-dihydropyridin-2-yl)-5-methylheptan-2-amine
SMILESCC[C@@](C)(CCC(C)N)C1=NC=CCC1
InChIInChI=1S/C13H24N2/c1-4-13(3,9-8-11(2)14)12-7-5-6-10-15-12/h6,10-11H,4-5,7-9,14H2,1-3H3/t11?,13-/m0/s1
InChIKeyUEZIWRABIXZROA-YUZLPWPTSA-N
XLogP3.28
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3,4-dihydropyridin-2-yl)-5-methylheptan-2-amine?
The IUPAC name of (5S)-5-(3,4-dihydropyridin-2-yl)-5-methylheptan-2-amine (CID 71013887) is (5S)-5-(3,4-dihydropyridin-2-yl)-5-methylheptan-2-amine.
What is the SMILES notation for (5S)-5-(3,4-dihydropyridin-2-yl)-5-methylheptan-2-amine?
The canonical SMILES for (5S)-5-(3,4-dihydropyridin-2-yl)-5-methylheptan-2-amine is CC[C@@](C)(CCC(C)N)C1=NC=CCC1.
What is the InChIKey of (5S)-5-(3,4-dihydropyridin-2-yl)-5-methylheptan-2-amine?
The InChIKey is UEZIWRABIXZROA-YUZLPWPTSA-N. The full InChI is InChI=1S/C13H24N2/c1-4-13(3,9-8-11(2)14)12-7-5-6-10-15-12/h6,10-11H,4-5,7-9,14H2,1-3H3/t11?,13-/m0/s1.
What are the key properties of (5S)-5-(3,4-dihydropyridin-2-yl)-5-methylheptan-2-amine?
(5S)-5-(3,4-dihydropyridin-2-yl)-5-methylheptan-2-amine has a molecular weight of 208.35 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3,4-dihydropyridin-2-yl)-5-methylheptan-2-amine is sourced from PubChem (CID 71013887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).