(4R)-6-[(Z)-5,5-dimethylhex-1-enyl]-1,4,5,5,7-pentamethyl-3,4-dihydro-2H-azepine

C19H35N — CID 71119994

IUPAC(4R)-6-[(Z)-5,5-dimethylhex-1-enyl]-1,4,5,5,7-pentamethyl-3,4-dihydro-2H-azepine
SMILESCC1=C(/C=C\CCC(C)(C)C)C(C)(C)[C@H](C)CCN1C
InChIInChI=1S/C19H35N/c1-15-12-14-20(8)16(2)17(19(15,6)7)11-9-10-13-18(3,4)5/h9,11,15H,10,12-14H2,1-8H3/b11-9-/t15-/m1/s1
InChIKeyGUZAJVJIICSZPA-ZHUYAKLQSA-N
MW277.50 g/mol
LogP5.64
Rot. Bonds3

About (4R)-6-[(Z)-5,5-dimethylhex-1-enyl]-1,4,5,5,7-pentamethyl-3,4-dihydro-2H-azepine

(4R)-6-[(Z)-5,5-dimethylhex-1-enyl]-1,4,5,5,7-pentamethyl-3,4-dihydro-2H-azepine (PubChem CID 71119994) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is (4R)-6-[(Z)-5,5-dimethylhex-1-enyl]-1,4,5,5,7-pentamethyl-3,4-dihydro-2H-azepine.

Molecular Properties

Compound Name(4R)-6-[(Z)-5,5-dimethylhex-1-enyl]-1,4,5,5,7-pentamethyl-3,4-dihydro-2H-azepine
PubChem CID71119994
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name(4R)-6-[(Z)-5,5-dimethylhex-1-enyl]-1,4,5,5,7-pentamethyl-3,4-dihydro-2H-azepine
SMILESCC1=C(/C=C\CCC(C)(C)C)C(C)(C)[C@H](C)CCN1C
InChIInChI=1S/C19H35N/c1-15-12-14-20(8)16(2)17(19(15,6)7)11-9-10-13-18(3,4)5/h9,11,15H,10,12-14H2,1-8H3/b11-9-/t15-/m1/s1
InChIKeyGUZAJVJIICSZPA-ZHUYAKLQSA-N
XLogP5.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-[(Z)-5,5-dimethylhex-1-enyl]-1,4,5,5,7-pentamethyl-3,4-dihydro-2H-azepine?
The IUPAC name of (4R)-6-[(Z)-5,5-dimethylhex-1-enyl]-1,4,5,5,7-pentamethyl-3,4-dihydro-2H-azepine (CID 71119994) is (4R)-6-[(Z)-5,5-dimethylhex-1-enyl]-1,4,5,5,7-pentamethyl-3,4-dihydro-2H-azepine.
What is the SMILES notation for (4R)-6-[(Z)-5,5-dimethylhex-1-enyl]-1,4,5,5,7-pentamethyl-3,4-dihydro-2H-azepine?
The canonical SMILES for (4R)-6-[(Z)-5,5-dimethylhex-1-enyl]-1,4,5,5,7-pentamethyl-3,4-dihydro-2H-azepine is CC1=C(/C=C\CCC(C)(C)C)C(C)(C)[C@H](C)CCN1C.
What is the InChIKey of (4R)-6-[(Z)-5,5-dimethylhex-1-enyl]-1,4,5,5,7-pentamethyl-3,4-dihydro-2H-azepine?
The InChIKey is GUZAJVJIICSZPA-ZHUYAKLQSA-N. The full InChI is InChI=1S/C19H35N/c1-15-12-14-20(8)16(2)17(19(15,6)7)11-9-10-13-18(3,4)5/h9,11,15H,10,12-14H2,1-8H3/b11-9-/t15-/m1/s1.
What are the key properties of (4R)-6-[(Z)-5,5-dimethylhex-1-enyl]-1,4,5,5,7-pentamethyl-3,4-dihydro-2H-azepine?
(4R)-6-[(Z)-5,5-dimethylhex-1-enyl]-1,4,5,5,7-pentamethyl-3,4-dihydro-2H-azepine has a molecular weight of 277.50 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-[(Z)-5,5-dimethylhex-1-enyl]-1,4,5,5,7-pentamethyl-3,4-dihydro-2H-azepine is sourced from PubChem (CID 71119994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).