(7R,8R)-2,7,8,9-tetramethyl-4,5-di(propan-2-yl)-7,8-dihydropyrido[2,3-b]azepine

C19H30N2 — CID 170522582

IUPAC(7R,8R)-2,7,8,9-tetramethyl-4,5-di(propan-2-yl)-7,8-dihydropyrido[2,3-b]azepine
SMILESCc1cc(C(C)C)c2c(n1)N(C)[C@H](C)[C@H](C)C=C2C(C)C
InChIInChI=1S/C19H30N2/c1-11(2)16-9-13(5)15(7)21(8)19-18(16)17(12(3)4)10-14(6)20-19/h9-13,15H,1-8H3/t13-,15-/m1/s1
InChIKeyLNAJWFKLNMYEHE-UKRRQHHQSA-N
MW286.46 g/mol
LogP5.03
Rot. Bonds2

About (7R,8R)-2,7,8,9-tetramethyl-4,5-di(propan-2-yl)-7,8-dihydropyrido[2,3-b]azepine

(7R,8R)-2,7,8,9-tetramethyl-4,5-di(propan-2-yl)-7,8-dihydropyrido[2,3-b]azepine (PubChem CID 170522582) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is (7R,8R)-2,7,8,9-tetramethyl-4,5-di(propan-2-yl)-7,8-dihydropyrido[2,3-b]azepine.

Molecular Properties

Compound Name(7R,8R)-2,7,8,9-tetramethyl-4,5-di(propan-2-yl)-7,8-dihydropyrido[2,3-b]azepine
PubChem CID170522582
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name(7R,8R)-2,7,8,9-tetramethyl-4,5-di(propan-2-yl)-7,8-dihydropyrido[2,3-b]azepine
SMILESCc1cc(C(C)C)c2c(n1)N(C)[C@H](C)[C@H](C)C=C2C(C)C
InChIInChI=1S/C19H30N2/c1-11(2)16-9-13(5)15(7)21(8)19-18(16)17(12(3)4)10-14(6)20-19/h9-13,15H,1-8H3/t13-,15-/m1/s1
InChIKeyLNAJWFKLNMYEHE-UKRRQHHQSA-N
XLogP5.03
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7R,8R)-2,7,8,9-tetramethyl-4,5-di(propan-2-yl)-7,8-dihydropyrido[2,3-b]azepine?
The IUPAC name of (7R,8R)-2,7,8,9-tetramethyl-4,5-di(propan-2-yl)-7,8-dihydropyrido[2,3-b]azepine (CID 170522582) is (7R,8R)-2,7,8,9-tetramethyl-4,5-di(propan-2-yl)-7,8-dihydropyrido[2,3-b]azepine.
What is the SMILES notation for (7R,8R)-2,7,8,9-tetramethyl-4,5-di(propan-2-yl)-7,8-dihydropyrido[2,3-b]azepine?
The canonical SMILES for (7R,8R)-2,7,8,9-tetramethyl-4,5-di(propan-2-yl)-7,8-dihydropyrido[2,3-b]azepine is Cc1cc(C(C)C)c2c(n1)N(C)[C@H](C)[C@H](C)C=C2C(C)C.
What is the InChIKey of (7R,8R)-2,7,8,9-tetramethyl-4,5-di(propan-2-yl)-7,8-dihydropyrido[2,3-b]azepine?
The InChIKey is LNAJWFKLNMYEHE-UKRRQHHQSA-N. The full InChI is InChI=1S/C19H30N2/c1-11(2)16-9-13(5)15(7)21(8)19-18(16)17(12(3)4)10-14(6)20-19/h9-13,15H,1-8H3/t13-,15-/m1/s1.
What are the key properties of (7R,8R)-2,7,8,9-tetramethyl-4,5-di(propan-2-yl)-7,8-dihydropyrido[2,3-b]azepine?
(7R,8R)-2,7,8,9-tetramethyl-4,5-di(propan-2-yl)-7,8-dihydropyrido[2,3-b]azepine has a molecular weight of 286.46 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8R)-2,7,8,9-tetramethyl-4,5-di(propan-2-yl)-7,8-dihydropyrido[2,3-b]azepine is sourced from PubChem (CID 170522582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).