N-[(2R)-3-methylbutan-2-yl]-1,2-dihydropyridin-2-amine

C10H18N2 — CID 86341153

IUPACN-[(2R)-3-methylbutan-2-yl]-1,2-dihydropyridin-2-amine
SMILESCC(C)[C@@H](C)NC1C=CC=CN1
InChIInChI=1S/C10H18N2/c1-8(2)9(3)12-10-6-4-5-7-11-10/h4-12H,1-3H3/t9-,10?/m1/s1
InChIKeyJTPJNCHATMSIJK-YHMJZVADSA-N
MW166.27 g/mol
LogP1.62
Rot. Bonds3

About N-[(2R)-3-methylbutan-2-yl]-1,2-dihydropyridin-2-amine

N-[(2R)-3-methylbutan-2-yl]-1,2-dihydropyridin-2-amine (PubChem CID 86341153) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-[(2R)-3-methylbutan-2-yl]-1,2-dihydropyridin-2-amine.

Molecular Properties

Compound NameN-[(2R)-3-methylbutan-2-yl]-1,2-dihydropyridin-2-amine
PubChem CID86341153
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-[(2R)-3-methylbutan-2-yl]-1,2-dihydropyridin-2-amine
SMILESCC(C)[C@@H](C)NC1C=CC=CN1
InChIInChI=1S/C10H18N2/c1-8(2)9(3)12-10-6-4-5-7-11-10/h4-12H,1-3H3/t9-,10?/m1/s1
InChIKeyJTPJNCHATMSIJK-YHMJZVADSA-N
XLogP1.62
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methylbutan-2-yl]-1,2-dihydropyridin-2-amine?
The IUPAC name of N-[(2R)-3-methylbutan-2-yl]-1,2-dihydropyridin-2-amine (CID 86341153) is N-[(2R)-3-methylbutan-2-yl]-1,2-dihydropyridin-2-amine.
What is the SMILES notation for N-[(2R)-3-methylbutan-2-yl]-1,2-dihydropyridin-2-amine?
The canonical SMILES for N-[(2R)-3-methylbutan-2-yl]-1,2-dihydropyridin-2-amine is CC(C)[C@@H](C)NC1C=CC=CN1.
What is the InChIKey of N-[(2R)-3-methylbutan-2-yl]-1,2-dihydropyridin-2-amine?
The InChIKey is JTPJNCHATMSIJK-YHMJZVADSA-N. The full InChI is InChI=1S/C10H18N2/c1-8(2)9(3)12-10-6-4-5-7-11-10/h4-12H,1-3H3/t9-,10?/m1/s1.
What are the key properties of N-[(2R)-3-methylbutan-2-yl]-1,2-dihydropyridin-2-amine?
N-[(2R)-3-methylbutan-2-yl]-1,2-dihydropyridin-2-amine has a molecular weight of 166.27 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methylbutan-2-yl]-1,2-dihydropyridin-2-amine is sourced from PubChem (CID 86341153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).