(2R)-3-methyl-2-propan-2-yl-3,4-dihydro-2H-azepine

C10H17N — CID 89243825

IUPAC(2R)-3-methyl-2-propan-2-yl-3,4-dihydro-2H-azepine
SMILESCC(C)[C@H]1N=CC=CCC1C
InChIInChI=1S/C10H17N/c1-8(2)10-9(3)6-4-5-7-11-10/h4-5,7-10H,6H2,1-3H3/t9?,10-/m1/s1
InChIKeyTXTSEBYROUMOSN-QVDQXJPCSA-N
MW151.25 g/mol
LogP2.68
Rot. Bonds1

About (2R)-3-methyl-2-propan-2-yl-3,4-dihydro-2H-azepine

(2R)-3-methyl-2-propan-2-yl-3,4-dihydro-2H-azepine (PubChem CID 89243825) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (2R)-3-methyl-2-propan-2-yl-3,4-dihydro-2H-azepine.

Molecular Properties

Compound Name(2R)-3-methyl-2-propan-2-yl-3,4-dihydro-2H-azepine
PubChem CID89243825
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(2R)-3-methyl-2-propan-2-yl-3,4-dihydro-2H-azepine
SMILESCC(C)[C@H]1N=CC=CCC1C
InChIInChI=1S/C10H17N/c1-8(2)10-9(3)6-4-5-7-11-10/h4-5,7-10H,6H2,1-3H3/t9?,10-/m1/s1
InChIKeyTXTSEBYROUMOSN-QVDQXJPCSA-N
XLogP2.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-propan-2-yl-3,4-dihydro-2H-azepine?
The IUPAC name of (2R)-3-methyl-2-propan-2-yl-3,4-dihydro-2H-azepine (CID 89243825) is (2R)-3-methyl-2-propan-2-yl-3,4-dihydro-2H-azepine.
What is the SMILES notation for (2R)-3-methyl-2-propan-2-yl-3,4-dihydro-2H-azepine?
The canonical SMILES for (2R)-3-methyl-2-propan-2-yl-3,4-dihydro-2H-azepine is CC(C)[C@H]1N=CC=CCC1C.
What is the InChIKey of (2R)-3-methyl-2-propan-2-yl-3,4-dihydro-2H-azepine?
The InChIKey is TXTSEBYROUMOSN-QVDQXJPCSA-N. The full InChI is InChI=1S/C10H17N/c1-8(2)10-9(3)6-4-5-7-11-10/h4-5,7-10H,6H2,1-3H3/t9?,10-/m1/s1.
What are the key properties of (2R)-3-methyl-2-propan-2-yl-3,4-dihydro-2H-azepine?
(2R)-3-methyl-2-propan-2-yl-3,4-dihydro-2H-azepine has a molecular weight of 151.25 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-propan-2-yl-3,4-dihydro-2H-azepine is sourced from PubChem (CID 89243825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).