(2R)-2-ethyl-6-N,6-N-bis(2-methylpropyl)-2,3-dihydropyridine-5,6-diamine

C15H29N3 — CID 135177145

IUPAC(2R)-2-ethyl-6-N,6-N-bis(2-methylpropyl)-2,3-dihydropyridine-5,6-diamine
SMILESCC[C@@H]1CC=C(N)C(N(CC(C)C)CC(C)C)=N1
InChIInChI=1S/C15H29N3/c1-6-13-7-8-14(16)15(17-13)18(9-11(2)3)10-12(4)5/h8,11-13H,6-7,9-10,16H2,1-5H3/t13-/m1/s1
InChIKeyORJKRUFILNIJOP-CYBMUJFWSA-N
MW251.42 g/mol
LogP3.02
Rot. Bonds5

About (2R)-2-ethyl-6-N,6-N-bis(2-methylpropyl)-2,3-dihydropyridine-5,6-diamine

(2R)-2-ethyl-6-N,6-N-bis(2-methylpropyl)-2,3-dihydropyridine-5,6-diamine (PubChem CID 135177145) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is (2R)-2-ethyl-6-N,6-N-bis(2-methylpropyl)-2,3-dihydropyridine-5,6-diamine.

Molecular Properties

Compound Name(2R)-2-ethyl-6-N,6-N-bis(2-methylpropyl)-2,3-dihydropyridine-5,6-diamine
PubChem CID135177145
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name(2R)-2-ethyl-6-N,6-N-bis(2-methylpropyl)-2,3-dihydropyridine-5,6-diamine
SMILESCC[C@@H]1CC=C(N)C(N(CC(C)C)CC(C)C)=N1
InChIInChI=1S/C15H29N3/c1-6-13-7-8-14(16)15(17-13)18(9-11(2)3)10-12(4)5/h8,11-13H,6-7,9-10,16H2,1-5H3/t13-/m1/s1
InChIKeyORJKRUFILNIJOP-CYBMUJFWSA-N
XLogP3.02
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-6-N,6-N-bis(2-methylpropyl)-2,3-dihydropyridine-5,6-diamine?
The IUPAC name of (2R)-2-ethyl-6-N,6-N-bis(2-methylpropyl)-2,3-dihydropyridine-5,6-diamine (CID 135177145) is (2R)-2-ethyl-6-N,6-N-bis(2-methylpropyl)-2,3-dihydropyridine-5,6-diamine.
What is the SMILES notation for (2R)-2-ethyl-6-N,6-N-bis(2-methylpropyl)-2,3-dihydropyridine-5,6-diamine?
The canonical SMILES for (2R)-2-ethyl-6-N,6-N-bis(2-methylpropyl)-2,3-dihydropyridine-5,6-diamine is CC[C@@H]1CC=C(N)C(N(CC(C)C)CC(C)C)=N1.
What is the InChIKey of (2R)-2-ethyl-6-N,6-N-bis(2-methylpropyl)-2,3-dihydropyridine-5,6-diamine?
The InChIKey is ORJKRUFILNIJOP-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H29N3/c1-6-13-7-8-14(16)15(17-13)18(9-11(2)3)10-12(4)5/h8,11-13H,6-7,9-10,16H2,1-5H3/t13-/m1/s1.
What are the key properties of (2R)-2-ethyl-6-N,6-N-bis(2-methylpropyl)-2,3-dihydropyridine-5,6-diamine?
(2R)-2-ethyl-6-N,6-N-bis(2-methylpropyl)-2,3-dihydropyridine-5,6-diamine has a molecular weight of 251.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-6-N,6-N-bis(2-methylpropyl)-2,3-dihydropyridine-5,6-diamine is sourced from PubChem (CID 135177145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).